[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-[(3,4-dimethylphenyl)carbonylamino]ethanoate

Systemtic Name: [1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-[(3,4-dimethylphenyl)carbonylamino]ethanoate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate CAS Name: 2-[[(3,4-dimethylphenyl)-oxomethyl]amino]acetic acid [1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-[(3,4-dimethylbenzoyl)amino]acetate Traditional Name: 2-[(3,4-dimethylbenzoyl)amino]acetic acid [2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)OC(C)C(=O)NCCC2=CCCCC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)OC(C)C(=O)NCCC2=CCCCC2)C

InChI

InChI=1S/C22H30N2O4/c1-15-9-10-19(13-16(15)2)22(27)24-14-20(25)28-17(3)21(26)23-12-11-18-7-5-4-6-8-18/h7,9-10,13,17H,4-6,8,11-12,14H2,1-3H3,(H,23,26)(H,24,27)