[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 2-benzamido-3-methyl-butanoate

Systemtic Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 2-benzamido-3-methyl-butanoate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl] 2-benzamido-3-methyl-butanoate CAS Name: 2-benzamido-3-methylbutanoic acid [2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-benzamido-3-methylbutanoate Traditional Name: 2-benzamido-3-methyl-butyric acid [2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl] ester Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4/c1-16(2)20(24-21(26)18-11-7-4-8-12-18)22(27)28-15-19(25)23-14-13-17-9-5-3-6-10-17/h4,7-9,11-12,16,20H,3,5-6,10,13-15H2,1-2H3,(H,23,25)(H,24,26)