[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-tert-butylphenyl)carbonylamino]ethanoate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-tert-butylphenyl)carbonylamino]ethanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]acetic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]acetic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)CNC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)CNC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C23H31N3O4/c1-16(20(28)26-23(15-24)12-6-5-7-13-23)30-19(27)14-25-21(29)17-8-10-18(11-9-17)22(2,3)4/h8-11,16H,5-7,12-14H2,1-4H3,(H,25,29)(H,26,28)