4-[(3-chloranyl-4-methyl-phenyl)amino]-4-oxidanylidene-2-(pyridin-3-ylmethylamino)butanoic acid

Systemtic Name: 4-[(3-chloranyl-4-methyl-phenyl)amino]-4-oxidanylidene-2-(pyridin-3-ylmethylamino)butanoic acid Openeye Name: 4-(3-chloro-4-methyl-anilino)-4-oxo-2-(3-pyridylmethylamino)butanoic acid CAS Name: 4-(3-chloro-4-methylanilino)-4-oxo-2-(3-pyridinylmethylamino)butanoic acid IUPAC Name: 4-(3-chloro-4-methylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid Traditional Name: 4-(3-chloro-4-methyl-anilino)-4-keto-2-(3-pyridylmethylamino)butyric acid Formula: C17H18ClN3O3 MolecularWeight: 347.79612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O3/c1-11-4-5-13(7-14(11)18)21-16(22)8-15(17(23)24)20-10-12-3-2-6-19-9-12/h2-7,9,15,20H,8,10H2,1H3,(H,21,22)(H,23,24)