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

Systemtic Name: 3,4-dimethyl-7-[4-[3-[methyl-(phenylmethyl)amino]-5-oxidanyl-phenoxy]butoxy]chromen-2-one Openeye Name: 7-[4-[3-[benzyl(methyl)amino]-5-hydroxy-phenoxy]butoxy]-3,4-dimethyl-chromen-2-one CAS Name: 7-[4-[3-hydroxy-5-[methyl-(phenylmethyl)amino]phenoxy]butoxy]-3,4-dimethyl-1-benzopyran-2-one IUPAC Name: 7-[4-[3-[benzyl(methyl)amino]-5-hydroxyphenoxy]butoxy]-3,4-dimethylchromen-2-one Traditional Name: 7-[4-[3-[benzyl(methyl)amino]-5-hydroxy-phenoxy]butoxy]-3,4-dimethyl-coumarin Formula: C29H31NO5 MolecularWeight: 473.56014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCCCCOC3=CC(=CC(=C3)O)N(C)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCCCCOC3=CC(=CC(=C3)O)N(C)CC4=CC=CC=C4)C

InChI

InChI=1S/C29H31NO5/c1-20-21(2)29(32)35-28-18-25(11-12-27(20)28)33-13-7-8-14-34-26-16-23(15-24(31)17-26)30(3)19-22-9-5-4-6-10-22/h4-6,9-12,15-18,31H,7-8,13-14,19H2,1-3H3