[(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [(1R)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [(1R)-2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)OC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

C[C@H](C(=O)NC1CCCC1)OC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C18H21N3O4/c1-12(17(23)21-14-4-2-3-5-14)25-18(24)13-6-8-15(9-7-13)20-16(22)10-11-19/h6-9,12,14H,2-5,10H2,1H3,(H,20,22)(H,21,23)/t12-/m1/s1