[5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]-2-oxidanylidene-1H-quinolin-8-yl] 2-methylpropanoate

Systemtic Name: [5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]-2-oxidanylidene-1H-quinolin-8-yl] 2-methylpropanoate Openeye Name: [5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxy-propoxy]-2-oxo-1H-quinolin-8-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-2-oxo-1H-quinolin-8-yl] ester IUPAC Name: [5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-2-oxo-1H-quinolin-8-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [5-[3-(homoveratrylamino)-2-hydroxy-propoxy]-2-keto-1H-quinolin-8-yl] ester Formula: C26H32N2O7 MolecularWeight: 484.54148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1=C2C(=C(C=C1)OCC(CNCCC3=CC(=C(C=C3)OC)OC)O)C=CC(=O)N2

Isomeric SMILES

CC(C)C(=O)OC1=C2C(=C(C=C1)OCC(CNCCC3=CC(=C(C=C3)OC)OC)O)C=CC(=O)N2

InChI

InChI=1S/C26H32N2O7/c1-16(2)26(31)35-22-9-8-20(19-6-10-24(30)28-25(19)22)34-15-18(29)14-27-12-11-17-5-7-21(32-3)23(13-17)33-4/h5-10,13,16,18,27,29H,11-12,14-15H2,1-4H3,(H,28,30)