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

Systemtic Name: 2-[5-(4-bromophenyl)carbonyl-1-(phenylmethyl)pyrrol-2-yl]ethanoic acid; ethane Openeye Name: 2-[1-benzyl-5-(4-bromobenzoyl)pyrrol-2-yl]acetic acid; ethane CAS Name: 2-[5-[(4-bromophenyl)-oxomethyl]-1-(phenylmethyl)-2-pyrrolyl]acetic acid; ethane IUPAC Name: 2-[1-benzyl-5-(4-bromobenzoyl)pyrrol-2-yl]acetic acid; ethane Traditional Name: 2-[1-benzyl-5-(4-bromobenzoyl)pyrrol-2-yl]acetic acid; ethane Formula: C22H22BrNO3 MolecularWeight: 428.31898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrNO3.C2H6/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;1-2/h1-11H,12-13H2,(H,23,24);1-2H3