3-[2-ethanoyl-1-(phenylmethyl)pyrrol-3-yl]propanoic acid

Systemtic Name: 3-[2-ethanoyl-1-(phenylmethyl)pyrrol-3-yl]propanoic acid Openeye Name: 3-(2-acetyl-1-benzyl-pyrrol-3-yl)propanoic acid CAS Name: 3-[2-acetyl-1-(phenylmethyl)-3-pyrrolyl]propanoic acid IUPAC Name: 3-(2-acetyl-1-benzylpyrrol-3-yl)propanoic acid Traditional Name: 3-(2-acetyl-1-benzyl-pyrrol-3-yl)propionic acid Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CN1CC2=CC=CC=C2)CCC(=O)O

Isomeric SMILES

CC(=O)C1=C(C=CN1CC2=CC=CC=C2)CCC(=O)O

InChI

InChI=1S/C16H17NO3/c1-12(18)16-14(7-8-15(19)20)9-10-17(16)11-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,19,20)