6-ethyl-4-[(3-methylbutylamino)methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-ethyl-4-[(3-methylbutylamino)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[(isopentylamino)methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[(3-methylbutylamino)methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[(3-methylbutylamino)methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[(isoamylamino)methyl]coumarin Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO3/c1-4-12-7-14-13(10-18-6-5-11(2)3)8-17(20)21-16(14)9-15(12)19/h7-9,11,18-19H,4-6,10H2,1-3H3