[(2S)-1-[cyclohexyl(ethyl)amino]-1-oxidanylidene-propan-2-yl] 4-acetamidobenzoate

Systemtic Name: [(2S)-1-[cyclohexyl(ethyl)amino]-1-oxidanylidene-propan-2-yl] 4-acetamidobenzoate Openeye Name: [(1S)-2-[cyclohexyl(ethyl)amino]-1-methyl-2-oxo-ethyl] 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic acid [(2S)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [(1S)-2-[cyclohexyl(ethyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(=O)C(C)OC(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CCN(C1CCCCC1)C(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C20H28N2O4/c1-4-22(18-8-6-5-7-9-18)19(24)14(2)26-20(25)16-10-12-17(13-11-16)21-15(3)23/h10-14,18H,4-9H2,1-3H3,(H,21,23)/t14-/m0/s1