[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 2-(1-phenylpyrazol-4-yl)ethanoate

Systemtic Name: [2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 2-(1-phenylpyrazol-4-yl)ethanoate Openeye Name: [2-(1,5-dimethylhexylamino)-2-oxo-ethyl] 2-(1-phenylpyrazol-4-yl)acetate CAS Name: 2-(1-phenyl-4-pyrazolyl)acetic acid [2-(6-methylheptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(1-phenylpyrazol-4-yl)acetic acid [2-(1,5-dimethylhexylamino)-2-keto-ethyl] ester Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)COC(=O)CC1=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

CC(C)CCCC(C)NC(=O)COC(=O)CC1=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C21H29N3O3/c1-16(2)8-7-9-17(3)23-20(25)15-27-21(26)12-18-13-22-24(14-18)19-10-5-4-6-11-19/h4-6,10-11,13-14,16-17H,7-9,12,15H2,1-3H3,(H,23,25)