[4-[(2S)-2-benzamido-3-[cyano(methyl)amino]-3-oxidanylidene-propyl]cyclohexyl] ethanoate

Systemtic Name: [4-[(2S)-2-benzamido-3-[cyano(methyl)amino]-3-oxidanylidene-propyl]cyclohexyl] ethanoate Openeye Name: [4-[(2S)-2-benzamido-3-[cyano(methyl)amino]-3-oxo-propyl]cyclohexyl] acetate CAS Name: acetic acid [4-[(2S)-2-benzamido-3-[cyano(methyl)amino]-3-oxopropyl]cyclohexyl] ester IUPAC Name: [4-[(2S)-2-benzamido-3-[cyano(methyl)amino]-3-oxopropyl]cyclohexyl] acetate Traditional Name: acetic acid [4-[(2S)-2-benzamido-3-[cyano(methyl)amino]-3-keto-propyl]cyclohexyl] ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC(CC1)CC(C(=O)N(C)C#N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)OC1CCC(CC1)C[C@@H](C(=O)N(C)C#N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H25N3O4/c1-14(24)27-17-10-8-15(9-11-17)12-18(20(26)23(2)13-21)22-19(25)16-6-4-3-5-7-16/h3-7,15,17-18H,8-12H2,1-2H3,(H,22,25)/t15?,17?,18-/m0/s1