4-[(3-methylphenyl)amino]-4-oxidanylidene-2-(pyridin-3-ylmethylamino)butanoic acid

Systemtic Name: 4-[(3-methylphenyl)amino]-4-oxidanylidene-2-(pyridin-3-ylmethylamino)butanoic acid Openeye Name: 4-(3-methylanilino)-4-oxo-2-(3-pyridylmethylamino)butanoic acid CAS Name: 4-(3-methylanilino)-4-oxo-2-(3-pyridinylmethylamino)butanoic acid IUPAC Name: 4-(3-methylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid Traditional Name: 4-keto-4-(m-toluidino)-2-(3-pyridylmethylamino)butyric acid Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CC(C(=O)O)NCC2=CN=CC=C2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CC(C(=O)O)NCC2=CN=CC=C2

InChI

InChI=1S/C17H19N3O3/c1-12-4-2-6-14(8-12)20-16(21)9-15(17(22)23)19-11-13-5-3-7-18-10-13/h2-8,10,15,19H,9,11H2,1H3,(H,20,21)(H,22,23)