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

Systemtic Name: (2R)-2-[2-(2-hydroxyethyloxy)ethylazaniumyl]-4-[(3-methylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-[2-(2-hydroxyethoxy)ethylammonio]-4-(3-methylanilino)-4-oxo-butanoate CAS Name: (2R)-2-[2-(2-hydroxyethoxy)ethylammonio]-4-(3-methylanilino)-4-oxobutanoate IUPAC Name: (2R)-2-[2-(2-hydroxyethoxy)ethylazaniumyl]-4-(3-methylanilino)-4-oxobutanoate Traditional Name: (2R)-2-[2-(2-hydroxyethoxy)ethylammonio]-4-keto-4-(m-toluidino)butyrate Formula: C15H22N2O5 MolecularWeight: 310.34558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCOCCO

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O5/c1-11-3-2-4-12(9-11)17-14(19)10-13(15(20)21)16-5-7-22-8-6-18/h2-4,9,13,16,18H,5-8,10H2,1H3,(H,17,19)(H,20,21)/t13-/m1/s1