3-cyano-4-(3,4-dimethoxyphenyl)-5-ethoxycarbonyl-1-(3-phenylpropyl)-4H-pyridine-2-carboxylic acid

Systemtic Name: 3-cyano-4-(3,4-dimethoxyphenyl)-5-ethoxycarbonyl-1-(3-phenylpropyl)-4H-pyridine-2-carboxylic acid Openeye Name: 3-cyano-4-(3,4-dimethoxyphenyl)-5-ethoxycarbonyl-1-(3-phenylpropyl)-4H-pyridine-2-carboxylic acid CAS Name: 3-cyano-4-(3,4-dimethoxyphenyl)-5-ethoxycarbonyl-1-(3-phenylpropyl)-4H-pyridine-2-carboxylic acid IUPAC Name: 3-cyano-4-(3,4-dimethoxyphenyl)-5-ethoxycarbonyl-1-(3-phenylpropyl)-4H-pyridine-2-carboxylic acid Traditional Name: 5-carbethoxy-3-cyano-4-(3,4-dimethoxyphenyl)-1-(3-phenylpropyl)-4H-pyridine-2-carboxylic acid Formula: C27H28N2O6 MolecularWeight: 476.52102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C(=C(C1C2=CC(=C(C=C2)OC)OC)C#N)C(=O)O)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN(C(=C(C1C2=CC(=C(C=C2)OC)OC)C#N)C(=O)O)CCCC3=CC=CC=C3

InChI

InChI=1S/C27H28N2O6/c1-4-35-27(32)21-17-29(14-8-11-18-9-6-5-7-10-18)25(26(30)31)20(16-28)24(21)19-12-13-22(33-2)23(15-19)34-3/h5-7,9-10,12-13,15,17,24H,4,8,11,14H2,1-3H3,(H,30,31)