4-[[6-[2-(4-methoxyphenyl)ethylamino]pyridin-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[6-[2-(4-methoxyphenyl)ethylamino]pyridin-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridyl]amino]-4-oxo-butanoate CAS Name: 4-[[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridinyl]amino]-4-oxobutanoate IUPAC Name: 4-[[6-[2-(4-methoxyphenyl)ethylamino]pyridin-3-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridyl]amino]butyrate Formula: C18H20N3O4- MolecularWeight: 342.3691

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC2=NC=C(C=C2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CCNC2=NC=C(C=C2)NC(=O)CCC(=O)[O-]

InChI

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