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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(butylamino)-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-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] (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-(butylamino)-2-keto-ethyl] ester Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C=CC1=C(N(N=C1C)C2=CC=CC=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3/c1-4-5-13-21-19(24)14-26-20(25)12-11-18-15(2)22-23(16(18)3)17-9-7-6-8-10-17/h6-12H,4-5,13-14H2,1-3H3,(H,21,24)/b12-11+