[3-[(4-methylphenyl)methyl]pyrrol-1-yl]methyl 2-(4-chlorophenyl)-3-methyl-butanoate

Systemtic Name: [3-[(4-methylphenyl)methyl]pyrrol-1-yl]methyl 2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: [3-(p-tolylmethyl)pyrrol-1-yl]methyl 2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: 2-(4-chlorophenyl)-3-methylbutanoic acid [3-[(4-methylphenyl)methyl]-1-pyrrolyl]methyl ester IUPAC Name: [3-[(4-methylphenyl)methyl]pyrrol-1-yl]methyl 2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: 2-(4-chlorophenyl)-3-methyl-butyric acid [3-(4-methylbenzyl)pyrrol-1-yl]methyl ester Formula: C24H26ClNO2 MolecularWeight: 395.92174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=CN(C=C2)COC(=O)C(C3=CC=C(C=C3)Cl)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=CN(C=C2)COC(=O)C(C3=CC=C(C=C3)Cl)C(C)C

InChI

InChI=1S/C24H26ClNO2/c1-17(2)23(21-8-10-22(25)11-9-21)24(27)28-16-26-13-12-20(15-26)14-19-6-4-18(3)5-7-19/h4-13,15,17,23H,14,16H2,1-3H3