[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(4-chloranylphenoxy)propanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(4-chloranylphenoxy)propanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] (2R)-2-(4-chlorophenoxy)propanoate CAS Name: (2R)-2-(4-chlorophenoxy)propanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate Traditional Name: (2R)-2-(4-chlorophenoxy)propionic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C18H21ClN2O4 MolecularWeight: 364.82334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1(CCCCC1)C#N)OC2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NC1(CCCCC1)C#N)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H21ClN2O4/c1-13(25-15-7-5-14(19)6-8-15)17(23)24-11-16(22)21-18(12-20)9-3-2-4-10-18/h5-8,13H,2-4,9-11H2,1H3,(H,21,22)/t13-/m1/s1