7-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]-3,4,8-trimethyl-chromen-2-one

Systemtic Name: 7-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]-3,4,8-trimethyl-chromen-2-one Openeye Name: 7-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxy-propoxy]-3,4,8-trimethyl-chromen-2-one CAS Name: 7-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-3,4,8-trimethyl-1-benzopyran-2-one IUPAC Name: 7-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-3,4,8-trimethylchromen-2-one Traditional Name: 7-[3-(homoveratrylamino)-2-hydroxy-propoxy]-3,4,8-trimethyl-coumarin Formula: C25H31NO6 MolecularWeight: 441.51674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(CNCCC3=CC(=C(C=C3)OC)OC)O)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(CNCCC3=CC(=C(C=C3)OC)OC)O)C

InChI

InChI=1S/C25H31NO6/c1-15-16(2)25(28)32-24-17(3)21(9-7-20(15)24)31-14-19(27)13-26-11-10-18-6-8-22(29-4)23(12-18)30-5/h6-9,12,19,26-27H,10-11,13-14H2,1-5H3