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

Systemtic Name: 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]-1H-quinolin-2-one Openeye Name: 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxy-propoxy]-1H-quinolin-2-one CAS Name: 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-1H-quinolin-2-one IUPAC Name: 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-1H-quinolin-2-one Traditional Name: 5-[3-(homoveratrylamino)-2-hydroxy-propoxy]carbostyril Formula: C22H26N2O5 MolecularWeight: 398.45224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC(COC2=CC=CC3=C2C=CC(=O)N3)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC(COC2=CC=CC3=C2C=CC(=O)N3)O)OC

InChI

InChI=1S/C22H26N2O5/c1-27-20-8-6-15(12-21(20)28-2)10-11-23-13-16(25)14-29-19-5-3-4-18-17(19)7-9-22(26)24-18/h3-9,12,16,23,25H,10-11,13-14H2,1-2H3,(H,24,26)