6-chloranyl-7-methyl-4-[[[(1S,2S)-2-methylcyclohexyl]amino]methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-[[[(1S,2S)-2-methylcyclohexyl]amino]methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[[(1S,2S)-2-methylcyclohexyl]amino]methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[[(1S,2S)-2-methylcyclohexyl]amino]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[[(1S,2S)-2-methylcyclohexyl]amino]methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[[(1S,2S)-2-methylcyclohexyl]amino]methyl]coumarin Formula: C18H22ClNO2 MolecularWeight: 319.82578

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

InChI

InChI=1S/C18H22ClNO2/c1-11-5-3-4-6-16(11)20-10-13-8-18(21)22-17-7-12(2)15(19)9-14(13)17/h7-9,11,16,20H,3-6,10H2,1-2H3/t11-,16-/m0/s1