4-(3-cyanophenyl)-5-[2-(2-cyclopentylphenoxy)ethoxycarbonyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 4-(3-cyanophenyl)-5-[2-(2-cyclopentylphenoxy)ethoxycarbonyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-(3-cyanophenyl)-5-[2-(2-cyclopentylphenoxy)ethoxycarbonyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-(3-cyanophenyl)-5-[2-(2-cyclopentylphenoxy)ethoxy-oxomethyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-(3-cyanophenyl)-5-[2-(2-cyclopentylphenoxy)ethoxycarbonyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 4-(3-cyanophenyl)-5-[2-(2-cyclopentylphenoxy)ethoxycarbonyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Formula: C29H30N2O5 MolecularWeight: 486.5589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCOC2=CC=CC=C2C3CCCC3)C4=CC=CC(=C4)C#N)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCOC2=CC=CC=C2C3CCCC3)C4=CC=CC(=C4)C#N)C(=O)O

InChI

InChI=1S/C29H30N2O5/c1-18-25(28(32)33)27(22-11-7-8-20(16-22)17-30)26(19(2)31-18)29(34)36-15-14-35-24-13-6-5-12-23(24)21-9-3-4-10-21/h5-8,11-13,16,21,27,31H,3-4,9-10,14-15H2,1-2H3,(H,32,33)