3,4-dimethyl-7-[3-[3-[methyl-(phenylmethyl)amino]-5-oxidanyl-phenoxy]propoxy]chromen-2-one

Systemtic Name: 3,4-dimethyl-7-[3-[3-[methyl-(phenylmethyl)amino]-5-oxidanyl-phenoxy]propoxy]chromen-2-one Openeye Name: 7-[3-[3-[benzyl(methyl)amino]-5-hydroxy-phenoxy]propoxy]-3,4-dimethyl-chromen-2-one CAS Name: 7-[3-[3-hydroxy-5-[methyl-(phenylmethyl)amino]phenoxy]propoxy]-3,4-dimethyl-1-benzopyran-2-one IUPAC Name: 7-[3-[3-[benzyl(methyl)amino]-5-hydroxyphenoxy]propoxy]-3,4-dimethylchromen-2-one Traditional Name: 7-[3-[3-[benzyl(methyl)amino]-5-hydroxy-phenoxy]propoxy]-3,4-dimethyl-coumarin Formula: C28H29NO5 MolecularWeight: 459.53356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCCCOC3=CC(=CC(=C3)O)N(C)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCCCOC3=CC(=CC(=C3)O)N(C)CC4=CC=CC=C4)C

InChI

InChI=1S/C28H29NO5/c1-19-20(2)28(31)34-27-17-24(10-11-26(19)27)32-12-7-13-33-25-15-22(14-23(30)16-25)29(3)18-21-8-5-4-6-9-21/h4-6,8-11,14-17,30H,7,12-13,18H2,1-3H3