4-[[(2-chlorophenyl)methylamino]methyl]-7-methoxy-chromen-2-one; ethanedioic acid

Systemtic Name: 4-[[(2-chlorophenyl)methylamino]methyl]-7-methoxy-chromen-2-one; ethanedioic acid Openeye Name: 4-[[(2-chlorophenyl)methylamino]methyl]-7-methoxy-chromen-2-one; oxalic acid CAS Name: 4-[[(2-chlorophenyl)methylamino]methyl]-7-methoxy-1-benzopyran-2-one; oxalic acid IUPAC Name: 4-[[(2-chlorophenyl)methylamino]methyl]-7-methoxychromen-2-one; oxalic acid Traditional Name: 4-[[(2-chlorobenzyl)amino]methyl]-7-methoxy-coumarin; oxalic acid Formula: C20H18ClNO7 MolecularWeight: 419.81242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CNCC3=CC=CC=C3Cl.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CNCC3=CC=CC=C3Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H16ClNO3.C2H2O4/c1-22-14-6-7-15-13(8-18(21)23-17(15)9-14)11-20-10-12-4-2-3-5-16(12)19;3-1(4)2(5)6/h2-9,20H,10-11H2,1H3;(H,3,4)(H,5,6)