4-[[5-[2-(4-methoxyphenyl)ethylamino]pyridin-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[5-[2-(4-methoxyphenyl)ethylamino]pyridin-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[5-[2-(4-methoxyphenyl)ethylamino]pyridin-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridyl]amino]butyric acid Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC2=CN=C(C=C2)NC(=O)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CCNC2=CN=C(C=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C18H21N3O4/c1-25-15-5-2-13(3-6-15)10-11-19-14-4-7-16(20-12-14)21-17(22)8-9-18(23)24/h2-7,12,19H,8-11H2,1H3,(H,23,24)(H,20,21,22)