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

Systemtic Name: 6-ethyl-7-oxidanyl-4-[[[(2R)-1-oxidanylbutan-2-yl]amino]methyl]chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[[[(1R)-1-(hydroxymethyl)propyl]amino]methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[[(1R)-1-methylolpropyl]amino]methyl]coumarin Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CNC(CC)CO)O

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4/c1-3-10-5-13-11(8-17-12(4-2)9-18)6-16(20)21-15(13)7-14(10)19/h5-7,12,17-19H,3-4,8-9H2,1-2H3/t12-/m1/s1