4-[[[(1R)-1-(1-adamantyl)ethyl]amino]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[[(1R)-1-(1-adamantyl)ethyl]amino]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[[(1R)-1-(1-adamantyl)ethyl]amino]methyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[[(1R)-1-(1-adamantyl)ethyl]amino]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[[(1R)-1-(1-adamantyl)ethyl]amino]methyl]-7-hydroxychromen-2-one Traditional Name: 4-[[[(1R)-1-(1-adamantyl)ethyl]amino]methyl]-7-hydroxy-coumarin Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NCC4=CC(=O)OC5=C4C=CC(=C5)O

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NCC4=CC(=O)OC5=C4C=CC(=C5)O

InChI

InChI=1S/C22H27NO3/c1-13(22-9-14-4-15(10-22)6-16(5-14)11-22)23-12-17-7-21(25)26-20-8-18(24)2-3-19(17)20/h2-3,7-8,13-16,23-24H,4-6,9-12H2,1H3/t13-,14?,15?,16?,22?/m1/s1