4-[2-[3-(3,4-dimethoxyphenyl)carbonylpiperidin-1-yl]-2-oxidanylidene-ethyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[2-[3-(3,4-dimethoxyphenyl)carbonylpiperidin-1-yl]-2-oxidanylidene-ethyl]-7-methyl-chromen-2-one Openeye Name: 4-[2-[3-(3,4-dimethoxybenzoyl)-1-piperidyl]-2-oxo-ethyl]-7-methyl-chromen-2-one CAS Name: 4-[2-[3-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperidinyl]-2-oxoethyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[2-[3-(3,4-dimethoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-7-methylchromen-2-one Traditional Name: 4-[2-keto-2-(3-veratroylpiperidino)ethyl]-7-methyl-coumarin Formula: C26H27NO6 MolecularWeight: 449.49568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)N3CCCC(C3)C(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)N3CCCC(C3)C(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H27NO6/c1-16-6-8-20-19(14-25(29)33-22(20)11-16)13-24(28)27-10-4-5-18(15-27)26(30)17-7-9-21(31-2)23(12-17)32-3/h6-9,11-12,14,18H,4-5,10,13,15H2,1-3H3