(2S)-2-[2-(4-methoxyphenyl)ethylazaniumyl]-4-(naphthalen-1-ylamino)-4-oxidanylidene-butanoate

Systemtic Name: (2S)-2-[2-(4-methoxyphenyl)ethylazaniumyl]-4-(naphthalen-1-ylamino)-4-oxidanylidene-butanoate Openeye Name: (2S)-2-[2-(4-methoxyphenyl)ethylammonio]-4-(1-naphthylamino)-4-oxo-butanoate CAS Name: (2S)-2-[2-(4-methoxyphenyl)ethylammonio]-4-(1-naphthalenylamino)-4-oxobutanoate IUPAC Name: (2S)-2-[2-(4-methoxyphenyl)ethylazaniumyl]-4-(naphthalen-1-ylamino)-4-oxobutanoate Traditional Name: (2S)-4-keto-2-[2-(4-methoxyphenyl)ethylammonio]-4-(1-naphthylamino)butyrate Formula: C23H24N2O4 MolecularWeight: 392.44766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O4/c1-29-18-11-9-16(10-12-18)13-14-24-21(23(27)28)15-22(26)25-20-8-4-6-17-5-2-3-7-19(17)20/h2-12,21,24H,13-15H2,1H3,(H,25,26)(H,27,28)/t21-/m0/s1