O3-[1-(diphenylmethyl)pyrrolidin-3-yl] O5-hexyl 2-azanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-[1-(diphenylmethyl)pyrrolidin-3-yl] O5-hexyl 2-azanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-(1-benzhydrylpyrrolidin-3-yl) O5-hexyl 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-[1-(diphenylmethyl)-3-pyrrolidinyl] ester O5-hexyl ester IUPAC Name: 3-O-(1-benzhydrylpyrrolidin-3-yl) 5-O-hexyl 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-(1-benzhydrylpyrrolidin-3-yl) ester O5-hexyl ester Formula: C37H42N4O6 MolecularWeight: 638.75258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC3CCN(C3)C(C4=CC=CC=C4)C5=CC=CC=C5)N)C

Isomeric SMILES

CCCCCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC3CCN(C3)C(C4=CC=CC=C4)C5=CC=CC=C5)N)C

InChI

InChI=1S/C37H42N4O6/c1-3-4-5-12-22-46-36(42)31-25(2)39-35(38)33(32(31)28-18-13-19-29(23-28)41(44)45)37(43)47-30-20-21-40(24-30)34(26-14-8-6-9-15-26)27-16-10-7-11-17-27/h6-11,13-19,23,30,32,34,39H,3-5,12,20-22,24,38H2,1-2H3