(2R)-2-[2-(4-methoxyphenyl)ethylazaniumyl]-4-oxidanylidene-4-phenylazanyl-butanoate

Systemtic Name: (2R)-2-[2-(4-methoxyphenyl)ethylazaniumyl]-4-oxidanylidene-4-phenylazanyl-butanoate Openeye Name: (2R)-4-anilino-2-[2-(4-methoxyphenyl)ethylammonio]-4-oxo-butanoate CAS Name: (2R)-4-anilino-2-[2-(4-methoxyphenyl)ethylammonio]-4-oxobutanoate IUPAC Name: (2R)-4-anilino-2-[2-(4-methoxyphenyl)ethylazaniumyl]-4-oxobutanoate Traditional Name: (2R)-4-anilino-4-keto-2-[2-(4-methoxyphenyl)ethylammonio]butyrate Formula: C19H22N2O4 MolecularWeight: 342.38898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC[NH2+]C(CC(=O)NC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CC[NH2+][C@H](CC(=O)NC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C19H22N2O4/c1-25-16-9-7-14(8-10-16)11-12-20-17(19(23)24)13-18(22)21-15-5-3-2-4-6-15/h2-10,17,20H,11-13H2,1H3,(H,21,22)(H,23,24)/t17-/m1/s1