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

Systemtic Name: 3-[2-methyl-1-(phenylmethyl)pyrrol-3-yl]propanoic acid Openeye Name: 3-(1-benzyl-2-methyl-pyrrol-3-yl)propanoic acid CAS Name: 3-[2-methyl-1-(phenylmethyl)-3-pyrrolyl]propanoic acid IUPAC Name: 3-(1-benzyl-2-methylpyrrol-3-yl)propanoic acid Traditional Name: 3-(1-benzyl-2-methyl-pyrrol-3-yl)propionic acid Formula: C15H17NO2 MolecularWeight: 243.30098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN1CC2=CC=CC=C2)CCC(=O)O

Isomeric SMILES

CC1=C(C=CN1CC2=CC=CC=C2)CCC(=O)O

InChI

InChI=1S/C15H17NO2/c1-12-14(7-8-15(17)18)9-10-16(12)11-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,17,18)