6-chloranyl-3-hexyl-4-methyl-8-[(3-methylpiperidin-1-yl)methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-chloranyl-3-hexyl-4-methyl-8-[(3-methylpiperidin-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-chloro-3-hexyl-7-hydroxy-4-methyl-8-[(3-methyl-1-piperidyl)methyl]chromen-2-one CAS Name: 6-chloro-3-hexyl-7-hydroxy-4-methyl-8-[(3-methyl-1-piperidinyl)methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-3-hexyl-7-hydroxy-4-methyl-8-[(3-methylpiperidin-1-yl)methyl]chromen-2-one Traditional Name: 6-chloro-3-hexyl-7-hydroxy-4-methyl-8-[(3-methylpiperidino)methyl]coumarin Formula: C23H32ClNO3 MolecularWeight: 405.95808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=CC(=C(C(=C2OC1=O)CN3CCCC(C3)C)O)Cl)C

Isomeric SMILES

CCCCCCC1=C(C2=CC(=C(C(=C2OC1=O)CN3CCCC(C3)C)O)Cl)C

InChI

InChI=1S/C23H32ClNO3/c1-4-5-6-7-10-17-16(3)18-12-20(24)21(26)19(22(18)28-23(17)27)14-25-11-8-9-15(2)13-25/h12,15,26H,4-11,13-14H2,1-3H3