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

Systemtic Name: 6-ethyl-4-[[[(1S,2S)-2-methylcyclohexyl]amino]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[[[(1S,2S)-2-methylcyclohexyl]amino]methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[[(1S,2S)-2-methylcyclohexyl]amino]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[[[(1S,2S)-2-methylcyclohexyl]amino]methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[[(1S,2S)-2-methylcyclohexyl]amino]methyl]coumarin Formula: C19H25NO3 MolecularWeight: 315.4067

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CNC3CCCCC3C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN[C@H]3CCCC[C@@H]3C)O

InChI

InChI=1S/C19H25NO3/c1-3-13-8-15-14(9-19(22)23-18(15)10-17(13)21)11-20-16-7-5-4-6-12(16)2/h8-10,12,16,20-21H,3-7,11H2,1-2H3/t12-,16-/m0/s1