[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-propenoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acrylic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C=CC1=C(N(N=C1C)C2=CC=CC=C2)C

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)/C=C/C1=C(N(N=C1C)C2=CC=CC=C2)C

InChI

InChI=1S/C21H27N3O3/c1-5-17(6-2)22-20(25)14-27-21(26)13-12-19-15(3)23-24(16(19)4)18-10-8-7-9-11-18/h7-13,17H,5-6,14H2,1-4H3,(H,22,25)/b13-12+