6-ethyl-4-methyl-7-oxidanyl-8-[[4-(phenylmethyl)piperidin-1-yl]methyl]chromen-2-one

Systemtic Name: 6-ethyl-4-methyl-7-oxidanyl-8-[[4-(phenylmethyl)piperidin-1-yl]methyl]chromen-2-one Openeye Name: 8-[(4-benzyl-1-piperidyl)methyl]-6-ethyl-7-hydroxy-4-methyl-chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-methyl-8-[[4-(phenylmethyl)-1-piperidinyl]methyl]-1-benzopyran-2-one IUPAC Name: 8-[(4-benzylpiperidin-1-yl)methyl]-6-ethyl-7-hydroxy-4-methylchromen-2-one Traditional Name: 8-[(4-benzylpiperidino)methyl]-6-ethyl-7-hydroxy-4-methyl-coumarin Formula: C25H29NO3 MolecularWeight: 391.50266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)CN3CCC(CC3)CC4=CC=CC=C4)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)CN3CCC(CC3)CC4=CC=CC=C4)O

InChI

InChI=1S/C25H29NO3/c1-3-20-15-21-17(2)13-23(27)29-25(21)22(24(20)28)16-26-11-9-19(10-12-26)14-18-7-5-4-6-8-18/h4-8,13,15,19,28H,3,9-12,14,16H2,1-2H3