(2R)-2-(cyclohexylazaniumyl)-4-[(2-methoxyphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(cyclohexylazaniumyl)-4-[(2-methoxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(cyclohexylammonio)-4-(2-methoxyanilino)-4-oxo-butanoate CAS Name: (2R)-2-(cyclohexylammonio)-4-(2-methoxyanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(cyclohexylazaniumyl)-4-(2-methoxyanilino)-4-oxobutanoate Traditional Name: (2R)-2-(cyclohexylammonio)-4-keto-4-(o-anisidino)butyrate Formula: C17H24N2O4 MolecularWeight: 320.38346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CC(C(=O)[O-])[NH2+]C2CCCCC2

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C[C@H](C(=O)[O-])[NH2+]C2CCCCC2

InChI

InChI=1S/C17H24N2O4/c1-23-15-10-6-5-9-13(15)19-16(20)11-14(17(21)22)18-12-7-3-2-4-8-12/h5-6,9-10,12,14,18H,2-4,7-8,11H2,1H3,(H,19,20)(H,21,22)/t14-/m1/s1