4-[[6-[(2-methoxyphenyl)methylamino]pyridin-3-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[6-[(2-methoxyphenyl)methylamino]pyridin-3-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[6-[(2-methoxyphenyl)methylamino]-3-pyridyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[6-[(2-methoxyphenyl)methylamino]pyridin-3-yl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[[6-(o-anisylamino)-3-pyridyl]amino]butyric acid Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC2=NC=C(C=C2)NC(=O)CCC(=O)O

Isomeric SMILES

COC1=CC=CC=C1CNC2=NC=C(C=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C17H19N3O4/c1-24-14-5-3-2-4-12(14)10-18-15-7-6-13(11-19-15)20-16(21)8-9-17(22)23/h2-7,11H,8-10H2,1H3,(H,18,19)(H,20,21)(H,22,23)