[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxidanylidene-ethyl] 2-phenylbutanoate

Systemtic Name: [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxidanylidene-ethyl] 2-phenylbutanoate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxo-ethyl] 2-phenylbutanoate CAS Name: 2-phenylbutanoic acid [2-[[[2-(1-cyclohexenyl)ethylamino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] 2-phenylbutanoate Traditional Name: 2-phenylbutyric acid [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-keto-ethyl] ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC(=O)NCCC2=CCCCC2

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC(=O)NCCC2=CCCCC2

InChI

InChI=1S/C21H28N2O4/c1-2-18(17-11-7-4-8-12-17)20(25)27-15-19(24)23-21(26)22-14-13-16-9-5-3-6-10-16/h4,7-9,11-12,18H,2-3,5-6,10,13-15H2,1H3,(H2,22,23,24,26)