2-[5-(3,4-dimethylphenyl)carbonyl-1-(phenylmethyl)pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[5-(3,4-dimethylphenyl)carbonyl-1-(phenylmethyl)pyrrol-2-yl]ethanoic acid Openeye Name: 2-[1-benzyl-5-(3,4-dimethylbenzoyl)pyrrol-2-yl]acetic acid CAS Name: 2-[5-[(3,4-dimethylphenyl)-oxomethyl]-1-(phenylmethyl)-2-pyrrolyl]acetic acid IUPAC Name: 2-[1-benzyl-5-(3,4-dimethylbenzoyl)pyrrol-2-yl]acetic acid Traditional Name: 2-[1-benzyl-5-(3,4-dimethylbenzoyl)pyrrol-2-yl]acetic acid Formula: C22H21NO3 MolecularWeight: 347.40704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C2=CC=C(N2CC3=CC=CC=C3)CC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C2=CC=C(N2CC3=CC=CC=C3)CC(=O)O)C

InChI

InChI=1S/C22H21NO3/c1-15-8-9-18(12-16(15)2)22(26)20-11-10-19(13-21(24)25)23(20)14-17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3,(H,24,25)