5-(1-azanylbutyl)-6-chloranyl-3-ethyl-4-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 5-(1-azanylbutyl)-6-chloranyl-3-ethyl-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 5-(1-aminobutyl)-6-chloro-3-ethyl-7-hydroxy-4-methyl-chromen-2-one CAS Name: 5-(1-aminobutyl)-6-chloro-3-ethyl-7-hydroxy-4-methyl-1-benzopyran-2-one IUPAC Name: 5-(1-aminobutyl)-6-chloro-3-ethyl-7-hydroxy-4-methylchromen-2-one Traditional Name: 5-(1-aminobutyl)-6-chloro-3-ethyl-7-hydroxy-4-methyl-coumarin Formula: C16H20ClNO3 MolecularWeight: 309.7879

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C2C(=C(C(=O)OC2=CC(=C1Cl)O)CC)C)N

Isomeric SMILES

CCCC(C1=C2C(=C(C(=O)OC2=CC(=C1Cl)O)CC)C)N

InChI

InChI=1S/C16H20ClNO3/c1-4-6-10(18)14-13-8(3)9(5-2)16(20)21-12(13)7-11(19)15(14)17/h7,10,19H,4-6,18H2,1-3H3