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

Systemtic Name: 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]-8-prop-2-ynoxy-1H-quinolin-2-one Openeye Name: 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxy-propoxy]-8-prop-2-ynoxy-1H-quinolin-2-one CAS Name: 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-8-prop-2-ynoxy-1H-quinolin-2-one IUPAC Name: 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-8-prop-2-ynoxy-1H-quinolin-2-one Traditional Name: 5-[3-(homoveratrylamino)-2-hydroxy-propoxy]-8-propargyloxy-carbostyril Formula: C25H28N2O6 MolecularWeight: 452.49962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC(COC2=C3C=CC(=O)NC3=C(C=C2)OCC#C)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC(COC2=C3C=CC(=O)NC3=C(C=C2)OCC#C)O)OC

InChI

InChI=1S/C25H28N2O6/c1-4-13-32-22-9-8-20(19-6-10-24(29)27-25(19)22)33-16-18(28)15-26-12-11-17-5-7-21(30-2)23(14-17)31-3/h1,5-10,14,18,26,28H,11-13,15-16H2,2-3H3,(H,27,29)