pyrrol-1-ylmethyl 4-(4-bromophenyl)-3,3-dimethyl-2-(4-methylphenyl)butanoate

Systemtic Name: pyrrol-1-ylmethyl 4-(4-bromophenyl)-3,3-dimethyl-2-(4-methylphenyl)butanoate Openeye Name: pyrrol-1-ylmethyl 4-(4-bromophenyl)-3,3-dimethyl-2-(p-tolyl)butanoate CAS Name: 4-(4-bromophenyl)-3,3-dimethyl-2-(4-methylphenyl)butanoic acid 1-pyrrolylmethyl ester IUPAC Name: pyrrol-1-ylmethyl 4-(4-bromophenyl)-3,3-dimethyl-2-(4-methylphenyl)butanoate Traditional Name: 4-(4-bromophenyl)-3,3-dimethyl-2-(p-tolyl)butyric acid pyrrol-1-ylmethyl ester Formula: C24H26BrNO2 MolecularWeight: 440.37274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)OCN2C=CC=C2)C(C)(C)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(C(=O)OCN2C=CC=C2)C(C)(C)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C24H26BrNO2/c1-18-6-10-20(11-7-18)22(23(27)28-17-26-14-4-5-15-26)24(2,3)16-19-8-12-21(25)13-9-19/h4-15,22H,16-17H2,1-3H3