5-[(E)-1-methoxy-5-phenyl-pent-4-en-2-yl]oxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-[(E)-1-methoxy-5-phenyl-pent-4-en-2-yl]oxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-[(E)-1-(methoxymethyl)-4-phenyl-but-3-enoxy]carbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-[[(E)-1-methoxy-5-phenylpent-4-en-2-yl]oxy-oxomethyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-[(E)-1-methoxy-5-phenylpent-4-en-2-yl]oxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-[(E)-1-(methoxymethyl)-4-phenyl-but-3-enoxy]carbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C27H28N2O7 MolecularWeight: 492.52042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC(CC=CC2=CC=CC=C2)COC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(C/C=C/C2=CC=CC=C2)COC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C27H28N2O7/c1-17-23(26(30)31)25(20-12-8-13-21(15-20)29(33)34)24(18(2)28-17)27(32)36-22(16-35-3)14-7-11-19-9-5-4-6-10-19/h4-13,15,22,25,28H,14,16H2,1-3H3,(H,30,31)/b11-7+