6,7-dimethyl-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]chromen-2-one Openeye Name: 4-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-6,7-dimethyl-chromen-2-one CAS Name: 6,7-dimethyl-4-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-1-benzopyran-2-one IUPAC Name: 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[2-(4-benzylpiperidino)-2-keto-ethyl]-6,7-dimethyl-coumarin Formula: C25H27NO3 MolecularWeight: 389.48678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CC(=O)N3CCC(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CC(=O)N3CCC(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H27NO3/c1-17-12-22-21(16-25(28)29-23(22)13-18(17)2)15-24(27)26-10-8-20(9-11-26)14-19-6-4-3-5-7-19/h3-7,12-13,16,20H,8-11,14-15H2,1-2H3