(2R)-2-[2-(3,4-dimethoxyphenyl)ethylazaniumyl]-4-(naphthalen-1-ylamino)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-[2-(3,4-dimethoxyphenyl)ethylazaniumyl]-4-(naphthalen-1-ylamino)-4-oxidanylidene-butanoate Openeye Name: (2R)-2-[2-(3,4-dimethoxyphenyl)ethylammonio]-4-(1-naphthylamino)-4-oxo-butanoate CAS Name: (2R)-2-[2-(3,4-dimethoxyphenyl)ethylammonio]-4-(1-naphthalenylamino)-4-oxobutanoate IUPAC Name: (2R)-2-[2-(3,4-dimethoxyphenyl)ethylazaniumyl]-4-(naphthalen-1-ylamino)-4-oxobutanoate Traditional Name: (2R)-2-(homoveratrylammonio)-4-keto-4-(1-naphthylamino)butyrate Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH2+]C(CC(=O)NC2=CC=CC3=CC=CC=C32)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH2+][C@H](CC(=O)NC2=CC=CC3=CC=CC=C32)C(=O)[O-])OC

InChI

InChI=1S/C24H26N2O5/c1-30-21-11-10-16(14-22(21)31-2)12-13-25-20(24(28)29)15-23(27)26-19-9-5-7-17-6-3-4-8-18(17)19/h3-11,14,20,25H,12-13,15H2,1-2H3,(H,26,27)(H,28,29)/t20-/m1/s1