[3-[(4-methoxyphenyl)methyl]pyrrol-1-yl]methyl 2-(4-bromophenyl)-3-methyl-butanoate

Systemtic Name: [3-[(4-methoxyphenyl)methyl]pyrrol-1-yl]methyl 2-(4-bromophenyl)-3-methyl-butanoate Openeye Name: [3-[(4-methoxyphenyl)methyl]pyrrol-1-yl]methyl 2-(4-bromophenyl)-3-methyl-butanoate CAS Name: 2-(4-bromophenyl)-3-methylbutanoic acid [3-[(4-methoxyphenyl)methyl]-1-pyrrolyl]methyl ester IUPAC Name: [3-[(4-methoxyphenyl)methyl]pyrrol-1-yl]methyl 2-(4-bromophenyl)-3-methylbutanoate Traditional Name: 2-(4-bromophenyl)-3-methyl-butyric acid (3-p-anisylpyrrol-1-yl)methyl ester Formula: C24H26BrNO3 MolecularWeight: 456.37214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26BrNO3/c1-17(2)23(20-6-8-21(25)9-7-20)24(27)29-16-26-13-12-19(15-26)14-18-4-10-22(28-3)11-5-18/h4-13,15,17,23H,14,16H2,1-3H3