[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetate CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)CC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)CC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H29N3O3/c1-15-9-11-18(12-10-15)23-21(26)14-28-22(27)13-20-16(2)24-25(17(20)3)19-7-5-4-6-8-19/h4-8,15,18H,9-14H2,1-3H3,(H,23,26)