methyl 4-[2-cyano-3-(4-methoxycarbonylphenyl)-2-[4-(2-methylpropyl)phenyl]propyl]benzoate

Systemtic Name: methyl 4-[2-cyano-3-(4-methoxycarbonylphenyl)-2-[4-(2-methylpropyl)phenyl]propyl]benzoate Openeye Name: methyl 4-[2-cyano-2-(4-isobutylphenyl)-3-(4-methoxycarbonylphenyl)propyl]benzoate CAS Name: 4-[2-cyano-3-(4-methoxycarbonylphenyl)-2-[4-(2-methylpropyl)phenyl]propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-cyano-3-(4-methoxycarbonylphenyl)-2-[4-(2-methylpropyl)phenyl]propyl]benzoate Traditional Name: 4-[3-(4-carbomethoxyphenyl)-2-cyano-2-(4-isobutylphenyl)propyl]benzoic acid methyl ester Formula: C30H31NO4 MolecularWeight: 469.57144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(CC2=CC=C(C=C2)C(=O)OC)(CC3=CC=C(C=C3)C(=O)OC)C#N

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(CC2=CC=C(C=C2)C(=O)OC)(CC3=CC=C(C=C3)C(=O)OC)C#N

InChI

InChI=1S/C30H31NO4/c1-21(2)17-22-9-15-27(16-10-22)30(20-31,18-23-5-11-25(12-6-23)28(32)34-3)19-24-7-13-26(14-8-24)29(33)35-4/h5-16,21H,17-19H2,1-4H3