3-(3-ethanoyl-2-methyl-5-phenyl-pyrrol-1-yl)propanoic acid

Systemtic Name: 3-(3-ethanoyl-2-methyl-5-phenyl-pyrrol-1-yl)propanoic acid Openeye Name: 3-(3-acetyl-2-methyl-5-phenyl-pyrrol-1-yl)propanoic acid CAS Name: 3-(3-acetyl-2-methyl-5-phenyl-1-pyrrolyl)propanoic acid IUPAC Name: 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)propanoic acid Traditional Name: 3-(3-acetyl-2-methyl-5-phenyl-pyrrol-1-yl)propionic acid Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCC(=O)O)C2=CC=CC=C2)C(=O)C

Isomeric SMILES

CC1=C(C=C(N1CCC(=O)O)C2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C16H17NO3/c1-11-14(12(2)18)10-15(13-6-4-3-5-7-13)17(11)9-8-16(19)20/h3-7,10H,8-9H2,1-2H3,(H,19,20)