2-[5-(4-bromophenyl)carbonyl-1-(phenylmethyl)pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[5-(4-bromophenyl)carbonyl-1-(phenylmethyl)pyrrol-2-yl]ethanoic acid Openeye Name: 2-[1-benzyl-5-(4-bromobenzoyl)pyrrol-2-yl]acetic acid CAS Name: 2-[5-[(4-bromophenyl)-oxomethyl]-1-(phenylmethyl)-2-pyrrolyl]acetic acid IUPAC Name: 2-[1-benzyl-5-(4-bromobenzoyl)pyrrol-2-yl]acetic acid Traditional Name: 2-[1-benzyl-5-(4-bromobenzoyl)pyrrol-2-yl]acetic acid Formula: C20H16BrNO3 MolecularWeight: 398.24994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=CC=C2C(=O)C3=CC=C(C=C3)Br)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=CC=C2C(=O)C3=CC=C(C=C3)Br)CC(=O)O

InChI

InChI=1S/C20H16BrNO3/c21-16-8-6-15(7-9-16)20(25)18-11-10-17(12-19(23)24)22(18)13-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,23,24)