methyl 5-[2-(1,3-benzodioxol-5-yl)ethylamino]-5-oxidanylidene-3-phenyl-4-pyridin-3-yl-pentanoate

Systemtic Name: methyl 5-[2-(1,3-benzodioxol-5-yl)ethylamino]-5-oxidanylidene-3-phenyl-4-pyridin-3-yl-pentanoate Openeye Name: methyl 5-[2-(1,3-benzodioxol-5-yl)ethylamino]-5-oxo-3-phenyl-4-(3-pyridyl)pentanoate CAS Name: 5-[2-(1,3-benzodioxol-5-yl)ethylamino]-5-oxo-3-phenyl-4-(3-pyridinyl)pentanoic acid methyl ester IUPAC Name: methyl 5-[2-(1,3-benzodioxol-5-yl)ethylamino]-5-oxo-3-phenyl-4-pyridin-3-ylpentanoate Traditional Name: 5-(homopiperonylamino)-5-keto-3-phenyl-4-(3-pyridyl)valeric acid methyl ester Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)C(C2=CN=CC=C2)C(=O)NCCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)C(C2=CN=CC=C2)C(=O)NCCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H26N2O5/c1-31-24(29)15-21(19-6-3-2-4-7-19)25(20-8-5-12-27-16-20)26(30)28-13-11-18-9-10-22-23(14-18)33-17-32-22/h2-10,12,14,16,21,25H,11,13,15,17H2,1H3,(H,28,30)