(2R)-4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-2-(pyridin-3-ylmethylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-2-(pyridin-3-ylmethylazaniumyl)butanoate Openeye Name: (2R)-4-(4-ethoxyanilino)-4-oxo-2-(3-pyridylmethylammonio)butanoate CAS Name: (2R)-4-(4-ethoxyanilino)-4-oxo-2-(3-pyridinylmethylammonio)butanoate IUPAC Name: (2R)-4-(4-ethoxyanilino)-4-oxo-2-(pyridin-3-ylmethylazaniumyl)butanoate Traditional Name: (2R)-4-keto-4-(p-phenetidino)-2-(3-pyridylmethylammonio)butyrate Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC2=CN=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC2=CN=CC=C2

InChI

InChI=1S/C18H21N3O4/c1-2-25-15-7-5-14(6-8-15)21-17(22)10-16(18(23)24)20-12-13-4-3-9-19-11-13/h3-9,11,16,20H,2,10,12H2,1H3,(H,21,22)(H,23,24)/t16-/m1/s1