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

Systemtic Name: (2R)-4-oxidanylidene-4-[(4-phenoxyphenyl)amino]-2-(pyridin-2-ylmethylazaniumyl)butanoate Openeye Name: (2R)-4-oxo-4-(4-phenoxyanilino)-2-(2-pyridylmethylammonio)butanoate CAS Name: (2R)-4-oxo-4-(4-phenoxyanilino)-2-(2-pyridinylmethylammonio)butanoate IUPAC Name: (2R)-4-oxo-4-(4-phenoxyanilino)-2-(pyridin-2-ylmethylazaniumyl)butanoate Traditional Name: (2R)-4-keto-4-(4-phenoxyanilino)-2-(2-pyridylmethylammonio)butyrate Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CC(C(=O)[O-])[NH2+]CC3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC3=CC=CC=N3

InChI

InChI=1S/C22H21N3O4/c26-21(14-20(22(27)28)24-15-17-6-4-5-13-23-17)25-16-9-11-19(12-10-16)29-18-7-2-1-3-8-18/h1-13,20,24H,14-15H2,(H,25,26)(H,27,28)/t20-/m1/s1