methyl 4-[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl]oxybenzoate

Systemtic Name: methyl 4-[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl]oxybenzoate Openeye Name: methyl 4-[(1R)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethoxy]benzoate CAS Name: 4-[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]oxybenzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]oxybenzoate Traditional Name: 4-[(1R)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethoxy]benzoic acid methyl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4/c1-13(16(21)20-18(12-19)10-4-3-5-11-18)24-15-8-6-14(7-9-15)17(22)23-2/h6-9,13H,3-5,10-11H2,1-2H3,(H,20,21)/t13-/m1/s1