[1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: [1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: [2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid [2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)OC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCC1CCCCC1)OC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3/c1-17(22(27)23-14-18-8-4-2-5-9-18)28-21(26)13-12-19-15-24-25(16-19)20-10-6-3-7-11-20/h3,6-7,10-11,15-18H,2,4-5,8-9,12-14H2,1H3,(H,23,27)