[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate

Systemtic Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate CAS Name: 3-acetamido-3-(4-chlorophenyl)propanoic acid [2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate Traditional Name: 3-acetamido-3-(4-chlorophenyl)propionic acid [2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl] ester Formula: C21H27ClN2O4 MolecularWeight: 406.90308

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)NCCC1=CCCCC1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)NC(CC(=O)OCC(=O)NCCC1=CCCCC1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H27ClN2O4/c1-15(25)24-19(17-7-9-18(22)10-8-17)13-21(27)28-14-20(26)23-12-11-16-5-3-2-4-6-16/h5,7-10,19H,2-4,6,11-14H2,1H3,(H,23,26)(H,24,25)