4-[[(5-chloranyl-2-methoxy-phenyl)methyl-methyl-amino]methyl]-6-ethyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[(5-chloranyl-2-methoxy-phenyl)methyl-methyl-amino]methyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[(5-chloro-2-methoxy-phenyl)methyl-methyl-amino]methyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[[(5-chloro-2-methoxy-benzyl)-methyl-amino]methyl]-6-ethyl-7-hydroxy-coumarin Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN(C)CC3=C(C=CC(=C3)Cl)OC)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN(C)CC3=C(C=CC(=C3)Cl)OC)O

InChI

InChI=1S/C21H22ClNO4/c1-4-13-8-17-14(9-21(25)27-20(17)10-18(13)24)11-23(2)12-15-7-16(22)5-6-19(15)26-3/h5-10,24H,4,11-12H2,1-3H3