3-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]propanoic acid

Systemtic Name: 3-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]propanoic acid Openeye Name: 3-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)propanoic acid CAS Name: 3-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]propanoic acid IUPAC Name: 3-(1-benzyl-2,5-dimethylpyrrol-3-yl)propanoic acid Traditional Name: 3-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)propionic acid Formula: C16H19NO2 MolecularWeight: 257.32756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)CCC(=O)O

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)CCC(=O)O

InChI

InChI=1S/C16H19NO2/c1-12-10-15(8-9-16(18)19)13(2)17(12)11-14-6-4-3-5-7-14/h3-7,10H,8-9,11H2,1-2H3,(H,18,19)