5-ethoxycarbonyl-2-[[[5-(2-methoxyphenoxy)-2,2-dimethyl-4-oxidanyl-1-[(triphenylmethyl)amino]pentyl]-prop-2-enyl-amino]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-ethoxycarbonyl-2-[[[5-(2-methoxyphenoxy)-2,2-dimethyl-4-oxidanyl-1-[(triphenylmethyl)amino]pentyl]-prop-2-enyl-amino]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2-[[allyl-[4-hydroxy-5-(2-methoxyphenoxy)-2,2-dimethyl-1-(tritylamino)pentyl]amino]methyl]-5-ethoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-ethoxycarbonyl-2-[[[4-hydroxy-5-(2-methoxyphenoxy)-2,2-dimethyl-1-[(triphenylmethyl)amino]pentyl]-prop-2-enylamino]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-ethoxycarbonyl-2-[[[4-hydroxy-5-(2-methoxyphenoxy)-2,2-dimethyl-1-(tritylamino)pentyl]-prop-2-enylamino]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2-[[allyl-[4-hydroxy-5-(2-methoxyphenoxy)-2,2-dimethyl-1-(tritylamino)pentyl]amino]methyl]-5-carbethoxy-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C53H58N4O9 MolecularWeight: 895.04902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)CN(CC=C)C(C(C)(C)CC(COC3=CC=CC=C3OC)O)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)CN(CC=C)C(C(C)(C)CC(COC3=CC=CC=C3OC)O)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C

InChI

InChI=1S/C53H58N4O9/c1-7-31-56(34-43-48(49(59)60)47(37-21-20-28-41(32-37)57(62)63)46(36(3)54-43)50(61)65-8-2)51(52(4,5)33-42(58)35-66-45-30-19-18-29-44(45)64-6)55-53(38-22-12-9-13-23-38,39-24-14-10-15-25-39)40-26-16-11-17-27-40/h7,9-30,32,42,47,51,54-55,58H,1,8,31,33-35H2,2-6H3,(H,59,60)