(2R)-4-(4-cyclohexylphenyl)-2-[(4-methoxyphenyl)methylazaniumyl]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-(4-cyclohexylphenyl)-2-[(4-methoxyphenyl)methylazaniumyl]-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-cyclohexylphenyl)-2-[(4-methoxyphenyl)methylammonio]-4-oxo-butanoate CAS Name: (2R)-4-(4-cyclohexylphenyl)-2-[(4-methoxyphenyl)methylammonio]-4-oxobutanoate IUPAC Name: (2R)-4-(4-cyclohexylphenyl)-2-[(4-methoxyphenyl)methylazaniumyl]-4-oxobutanoate Traditional Name: (2R)-4-(4-cyclohexylphenyl)-4-keto-2-(p-anisylammonio)butyrate Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH2+]C(CC(=O)C2=CC=C(C=C2)C3CCCCC3)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C[NH2+][C@H](CC(=O)C2=CC=C(C=C2)C3CCCCC3)C(=O)[O-]

InChI

InChI=1S/C24H29NO4/c1-29-21-13-7-17(8-14-21)16-25-22(24(27)28)15-23(26)20-11-9-19(10-12-20)18-5-3-2-4-6-18/h7-14,18,22,25H,2-6,15-16H2,1H3,(H,27,28)/t22-/m1/s1