(2R)-2-[2-(4-methoxyphenyl)ethylazaniumyl]-4-[(3-methylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-[2-(4-methoxyphenyl)ethylazaniumyl]-4-[(3-methylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-[2-(4-methoxyphenyl)ethylammonio]-4-(3-methylanilino)-4-oxo-butanoate CAS Name: (2R)-2-[2-(4-methoxyphenyl)ethylammonio]-4-(3-methylanilino)-4-oxobutanoate IUPAC Name: (2R)-2-[2-(4-methoxyphenyl)ethylazaniumyl]-4-(3-methylanilino)-4-oxobutanoate Traditional Name: (2R)-4-keto-2-[2-(4-methoxyphenyl)ethylammonio]-4-(m-toluidino)butyrate Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCC2=CC=C(C=C2)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H24N2O4/c1-14-4-3-5-16(12-14)22-19(23)13-18(20(24)25)21-11-10-15-6-8-17(26-2)9-7-15/h3-9,12,18,21H,10-11,13H2,1-2H3,(H,22,23)(H,24,25)/t18-/m1/s1