4-[[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]methyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]methyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]methyl]-7-methoxy-chromen-2-one CAS Name: 4-[[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]methyl]-7-methoxychromen-2-one Traditional Name: 4-[[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]methyl]-7-methoxy-coumarin Formula: C19H25NO3 MolecularWeight: 315.4067

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NCC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@H]1C)NCC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C19H25NO3/c1-12-5-4-6-17(13(12)2)20-11-14-9-19(21)23-18-10-15(22-3)7-8-16(14)18/h7-10,12-13,17,20H,4-6,11H2,1-3H3/t12-,13-,17-/m0/s1