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

Systemtic Name: pyrrol-1-ylmethyl 4-(4-bromophenyl)-2-(4-methoxyphenyl)-3,3-dimethyl-butanoate Openeye Name: pyrrol-1-ylmethyl 4-(4-bromophenyl)-2-(4-methoxyphenyl)-3,3-dimethyl-butanoate CAS Name: 4-(4-bromophenyl)-2-(4-methoxyphenyl)-3,3-dimethylbutanoic acid 1-pyrrolylmethyl ester IUPAC Name: pyrrol-1-ylmethyl 4-(4-bromophenyl)-2-(4-methoxyphenyl)-3,3-dimethylbutanoate Traditional Name: 4-(4-bromophenyl)-2-(4-methoxyphenyl)-3,3-dimethyl-butyric acid pyrrol-1-ylmethyl ester Formula: C24H26BrNO3 MolecularWeight: 456.37214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=C(C=C1)Br)C(C2=CC=C(C=C2)OC)C(=O)OCN3C=CC=C3

Isomeric SMILES

CC(C)(CC1=CC=C(C=C1)Br)C(C2=CC=C(C=C2)OC)C(=O)OCN3C=CC=C3

InChI

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