(2R)-2-(cyclohexylazaniumyl)-4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(cyclohexylazaniumyl)-4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(cyclohexylammonio)-4-(4-ethoxyphenyl)-4-oxo-butanoate CAS Name: (2R)-2-(cyclohexylammonio)-4-(4-ethoxyphenyl)-4-oxobutanoate IUPAC Name: (2R)-2-(cyclohexylazaniumyl)-4-(4-ethoxyphenyl)-4-oxobutanoate Traditional Name: (2R)-2-(cyclohexylammonio)-4-keto-4-p-phenetyl-butyrate Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CC(C(=O)[O-])[NH2+]C2CCCCC2

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C[C@H](C(=O)[O-])[NH2+]C2CCCCC2

InChI

InChI=1S/C18H25NO4/c1-2-23-15-10-8-13(9-11-15)17(20)12-16(18(21)22)19-14-6-4-3-5-7-14/h8-11,14,16,19H,2-7,12H2,1H3,(H,21,22)/t16-/m1/s1