6-chloranyl-4-[[(3-methoxyphenyl)methyl-methyl-amino]methyl]-7-oxidanyl-chromen-2-one; ethanedioic acid

Systemtic Name: 6-chloranyl-4-[[(3-methoxyphenyl)methyl-methyl-amino]methyl]-7-oxidanyl-chromen-2-one; ethanedioic acid Openeye Name: 6-chloro-7-hydroxy-4-[[(3-methoxyphenyl)methyl-methyl-amino]methyl]chromen-2-one; oxalic acid CAS Name: 6-chloro-7-hydroxy-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1-benzopyran-2-one; oxalic acid IUPAC Name: 6-chloro-7-hydroxy-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]chromen-2-one; oxalic acid Traditional Name: 6-chloro-7-hydroxy-4-[[m-anisyl(methyl)amino]methyl]coumarin; oxalic acid Formula: C21H20ClNO8 MolecularWeight: 449.8384

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)OC)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)O.C(=O)(C(=O)O)O

Isomeric SMILES

CN(CC1=CC(=CC=C1)OC)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H18ClNO4.C2H2O4/c1-21(10-12-4-3-5-14(6-12)24-2)11-13-7-19(23)25-18-9-17(22)16(20)8-15(13)18;3-1(4)2(5)6/h3-9,22H,10-11H2,1-2H3;(H,3,4)(H,5,6)