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

Systemtic Name: 3-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]propanoate Openeye Name: 3-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)propanoate CAS Name: 3-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]propanoate IUPAC Name: 3-(1-benzyl-2,5-dimethylpyrrol-3-yl)propanoate Traditional Name: 3-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)propionate Formula: C16H18NO2- MolecularWeight: 256.31962

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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)/p-1