2-[3-ethyl-5-(4-methoxyphenyl)carbonyl-2,4-dimethyl-pyrrol-3-yl]ethanoic acid

Systemtic Name: 2-[3-ethyl-5-(4-methoxyphenyl)carbonyl-2,4-dimethyl-pyrrol-3-yl]ethanoic acid Openeye Name: 2-[3-ethyl-5-(4-methoxybenzoyl)-2,4-dimethyl-pyrrol-3-yl]acetic acid CAS Name: 2-[3-ethyl-5-[(4-methoxyphenyl)-oxomethyl]-2,4-dimethyl-3-pyrrolyl]acetic acid IUPAC Name: 2-[3-ethyl-5-(4-methoxybenzoyl)-2,4-dimethylpyrrol-3-yl]acetic acid Traditional Name: 2-(3-ethyl-2,4-dimethyl-5-p-anisoyl-pyrrol-3-yl)acetic acid Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=C(N=C1C)C(=O)C2=CC=C(C=C2)OC)C)CC(=O)O

Isomeric SMILES

CCC1(C(=C(N=C1C)C(=O)C2=CC=C(C=C2)OC)C)CC(=O)O

InChI

InChI=1S/C18H21NO4/c1-5-18(10-15(20)21)11(2)16(19-12(18)3)17(22)13-6-8-14(23-4)9-7-13/h6-9H,5,10H2,1-4H3,(H,20,21)