3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]propanoate

Systemtic Name: 3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]propanoate Openeye Name: 3-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]propanoate CAS Name: 3-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]propanoate IUPAC Name: 3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]propanoate Traditional Name: 3-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]propionate Formula: C16H18NO2- MolecularWeight: 256.31962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)CCC(=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)CCC(=O)[O-])C

InChI

InChI=1S/C16H19NO2/c1-11-4-7-15(8-5-11)17-12(2)10-14(13(17)3)6-9-16(18)19/h4-5,7-8,10H,6,9H2,1-3H3,(H,18,19)/p-1