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

Systemtic Name: 6-chloranyl-4-methyl-8-[(3-methylbutylamino)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-chloro-7-hydroxy-8-[(isopentylamino)methyl]-4-methyl-chromen-2-one CAS Name: 6-chloro-7-hydroxy-4-methyl-8-[(3-methylbutylamino)methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-hydroxy-4-methyl-8-[(3-methylbutylamino)methyl]chromen-2-one Traditional Name: 6-chloro-7-hydroxy-8-[(isoamylamino)methyl]-4-methyl-coumarin Formula: C16H20ClNO3 MolecularWeight: 309.7879

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)CNCCC(C)C

Isomeric SMILES

CC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)CNCCC(C)C

InChI

InChI=1S/C16H20ClNO3/c1-9(2)4-5-18-8-12-15(20)13(17)7-11-10(3)6-14(19)21-16(11)12/h6-7,9,18,20H,4-5,8H2,1-3H3