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

Systemtic Name: 8-methyl-4-[(3-methylbutylamino)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[(isopentylamino)methyl]-8-methyl-chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[(3-methylbutylamino)methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[(3-methylbutylamino)methyl]chromen-2-one Traditional Name: 7-hydroxy-4-[(isoamylamino)methyl]-8-methyl-coumarin Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CNCCC(C)C)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CNCCC(C)C)O

InChI

InChI=1S/C16H21NO3/c1-10(2)6-7-17-9-12-8-15(19)20-16-11(3)14(18)5-4-13(12)16/h4-5,8,10,17-18H,6-7,9H2,1-3H3