4-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[cyclopentyl(piperonyl)amino]methyl]-6,7-dimethyl-coumarin Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN(CC3=CC4=C(C=C3)OCO4)C5CCCC5)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN(CC3=CC4=C(C=C3)OCO4)C5CCCC5)C

InChI

InChI=1S/C25H27NO4/c1-16-9-21-19(12-25(27)30-23(21)10-17(16)2)14-26(20-5-3-4-6-20)13-18-7-8-22-24(11-18)29-15-28-22/h7-12,20H,3-6,13-15H2,1-2H3