[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-acetamido-3-methyl-benzoate

Systemtic Name: [1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-acetamido-3-methyl-benzoate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl] 2-acetamido-3-methyl-benzoate CAS Name: 2-acetamido-3-methylbenzoic acid [1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-acetamido-3-methylbenzoate Traditional Name: 2-acetamido-3-methyl-benzoic acid [2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC(=O)C)C(=O)OC(C)C(=O)NCCC2=CCCCC2

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)C)C(=O)OC(C)C(=O)NCCC2=CCCCC2

InChI

InChI=1S/C21H28N2O4/c1-14-8-7-11-18(19(14)23-16(3)24)21(26)27-15(2)20(25)22-13-12-17-9-5-4-6-10-17/h7-9,11,15H,4-6,10,12-13H2,1-3H3,(H,22,25)(H,23,24)