sodium 3-[(2-methylphenyl)amino]-4-phenyl-butanoate

Systemtic Name: sodium 3-[(2-methylphenyl)amino]-4-phenyl-butanoate Openeye Name: sodium 3-(2-methylanilino)-4-phenyl-butanoate CAS Name: sodium 3-(2-methylanilino)-4-phenylbutanoate IUPAC Name: sodium 3-(2-methylanilino)-4-phenylbutanoate Traditional Name: sodium 3-(o-toluidino)-4-phenyl-butyrate Formula: C17H18NNaO2 MolecularWeight: 291.32009

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(CC2=CC=CC=C2)CC(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=CC=C1NC(CC2=CC=CC=C2)CC(=O)[O-].[Na+]

InChI

InChI=1S/C17H19NO2.Na/c1-13-7-5-6-10-16(13)18-15(12-17(19)20)11-14-8-3-2-4-9-14;/h2-10,15,18H,11-12H2,1H3,(H,19,20);/q;+1/p-1