ethanedioic acid; 7-ethyl-4-[[(2-methoxyphenyl)methyl-methyl-amino]methyl]chromen-2-one

Systemtic Name: ethanedioic acid; 7-ethyl-4-[[(2-methoxyphenyl)methyl-methyl-amino]methyl]chromen-2-one Openeye Name: 7-ethyl-4-[[(2-methoxyphenyl)methyl-methyl-amino]methyl]chromen-2-one; oxalic acid CAS Name: 7-ethyl-4-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1-benzopyran-2-one; oxalic acid IUPAC Name: 7-ethyl-4-[[(2-methoxyphenyl)methyl-methylamino]methyl]chromen-2-one; oxalic acid Traditional Name: 7-ethyl-4-[[methyl(o-anisyl)amino]methyl]coumarin; oxalic acid Formula: C23H25NO7 MolecularWeight: 427.4471

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN(C)CC3=CC=CC=C3OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN(C)CC3=CC=CC=C3OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H23NO3.C2H2O4/c1-4-15-9-10-18-17(12-21(23)25-20(18)11-15)14-22(2)13-16-7-5-6-8-19(16)24-3;3-1(4)2(5)6/h5-12H,4,13-14H2,1-3H3;(H,3,4)(H,5,6)