[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate CAS Name: 3-(1,3,5-trimethyl-4-pyrazolyl)propanoic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Traditional Name: 3-(1,3,5-trimethylpyrazol-4-yl)propionic acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)COC(=O)CCC2=C(N(N=C2C)C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)COC(=O)CCC2=C(N(N=C2C)C)C

InChI

InChI=1S/C18H23N3O3/c1-12-6-5-7-15(10-12)19-17(22)11-24-18(23)9-8-16-13(2)20-21(4)14(16)3/h5-7,10H,8-9,11H2,1-4H3,(H,19,22)