[(2R)-1-[cyclohexyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [(2R)-1-[cyclohexyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [(1R)-2-[cyclohexyl(methyl)amino]-1-methyl-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [(1R)-2-[cyclohexyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1CCCCC1)OC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4/c1-14(19(25)23(2)17-6-4-3-5-7-17)27-20(26)15-8-10-16(11-9-15)22-18(24)12-13-21/h8-11,14,17H,3-7,12H2,1-2H3,(H,22,24)/t14-/m1/s1