6-chloranyl-4-[[(3,4-dimethoxyphenyl)methyl-methyl-amino]methyl]-7-methyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[[(3,4-dimethoxyphenyl)methyl-methyl-amino]methyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[(3,4-dimethoxyphenyl)methyl-methyl-amino]methyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-7-methylchromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[methyl(veratryl)amino]methyl]coumarin Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN(C)CC3=CC(=C(C=C3)OC)OC)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN(C)CC3=CC(=C(C=C3)OC)OC)Cl

InChI

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