(2S)-4-(4-cyclohexylphenyl)-4-oxidanylidene-2-[(phenylmethyl)azaniumyl]butanoate

Systemtic Name: (2S)-4-(4-cyclohexylphenyl)-4-oxidanylidene-2-[(phenylmethyl)azaniumyl]butanoate Openeye Name: (2S)-2-(benzylammonio)-4-(4-cyclohexylphenyl)-4-oxo-butanoate CAS Name: (2S)-4-(4-cyclohexylphenyl)-4-oxo-2-[(phenylmethyl)ammonio]butanoate IUPAC Name: (2S)-2-(benzylazaniumyl)-4-(4-cyclohexylphenyl)-4-oxobutanoate Traditional Name: (2S)-2-(benzylammonio)-4-(4-cyclohexylphenyl)-4-keto-butyrate Formula: C23H27NO3 MolecularWeight: 365.46538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CC(C(=O)[O-])[NH2+]CC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)C[C@@H](C(=O)[O-])[NH2+]CC3=CC=CC=C3

InChI

InChI=1S/C23H27NO3/c25-22(15-21(23(26)27)24-16-17-7-3-1-4-8-17)20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,21,24H,2,5-6,9-10,15-16H2,(H,26,27)/t21-/m0/s1