5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]-8-(5-methylhex-2-ynoxy)-1H-quinolin-2-one

Systemtic Name: 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]-8-(5-methylhex-2-ynoxy)-1H-quinolin-2-one Openeye Name: 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxy-propoxy]-8-(5-methylhex-2-ynoxy)-1H-quinolin-2-one CAS Name: 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-8-(5-methylhex-2-ynoxy)-1H-quinolin-2-one IUPAC Name: 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-8-(5-methylhex-2-ynoxy)-1H-quinolin-2-one Traditional Name: 5-[3-(homoveratrylamino)-2-hydroxy-propoxy]-8-(5-methylhex-2-ynoxy)carbostyril Formula: C29H36N2O6 MolecularWeight: 508.60594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC#CCOC1=C2C(=C(C=C1)OCC(CNCCC3=CC(=C(C=C3)OC)OC)O)C=CC(=O)N2

Isomeric SMILES

CC(C)CC#CCOC1=C2C(=C(C=C1)OCC(CNCCC3=CC(=C(C=C3)OC)OC)O)C=CC(=O)N2

InChI

InChI=1S/C29H36N2O6/c1-20(2)7-5-6-16-36-26-12-11-24(23-9-13-28(33)31-29(23)26)37-19-22(32)18-30-15-14-21-8-10-25(34-3)27(17-21)35-4/h8-13,17,20,22,30,32H,7,14-16,18-19H2,1-4H3,(H,31,33)