[2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(1-phenylpyrazol-4-yl)ethanoate

Systemtic Name: [2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(1-phenylpyrazol-4-yl)ethanoate Openeye Name: [2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 2-(1-phenylpyrazol-4-yl)acetate CAS Name: 2-(1-phenyl-4-pyrazolyl)acetic acid [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(1-phenylpyrazol-4-yl)acetic acid [2-keto-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C20H25N3O3 MolecularWeight: 355.4308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC1CCCCC1NC(=O)COC(=O)CC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3/c1-15-7-5-6-10-18(15)22-19(24)14-26-20(25)11-16-12-21-23(13-16)17-8-3-2-4-9-17/h2-4,8-9,12-13,15,18H,5-7,10-11,14H2,1H3,(H,22,24)