6-chloranyl-7-methyl-4-[[[(1R)-1-phenylbutyl]amino]methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-[[[(1R)-1-phenylbutyl]amino]methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[[(1R)-1-phenylbutyl]amino]methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[[(1R)-1-phenylbutyl]amino]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[[(1R)-1-phenylbutyl]amino]methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[[(1R)-1-phenylbutyl]amino]methyl]coumarin Formula: C21H22ClNO2 MolecularWeight: 355.85788

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

InChI

InChI=1S/C21H22ClNO2/c1-3-7-19(15-8-5-4-6-9-15)23-13-16-11-21(24)25-20-10-14(2)18(22)12-17(16)20/h4-6,8-12,19,23H,3,7,13H2,1-2H3/t19-/m1/s1