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

Systemtic Name: 2-[5-(4-chlorophenyl)carbonyl-1-(phenylmethyl)pyrrol-2-yl]ethanoic acid; methane Openeye Name: 2-[1-benzyl-5-(4-chlorobenzoyl)pyrrol-2-yl]acetic acid; methane CAS Name: 2-[5-[(4-chlorophenyl)-oxomethyl]-1-(phenylmethyl)-2-pyrrolyl]acetic acid; methane IUPAC Name: 2-[1-benzyl-5-(4-chlorobenzoyl)pyrrol-2-yl]acetic acid; methane Traditional Name: 2-[1-benzyl-5-(4-chlorobenzoyl)pyrrol-2-yl]acetic acid; methane Formula: C21H20ClNO3 MolecularWeight: 369.8414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClNO3.CH4/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);1H4