ethanedioic acid; 2-[(pyridin-4-ylmethylamino)methyl]-3,4-dihydro-2H-chromen-7-ol

Systemtic Name: ethanedioic acid; 2-[(pyridin-4-ylmethylamino)methyl]-3,4-dihydro-2H-chromen-7-ol Openeye Name: oxalic acid; 2-[(4-pyridylmethylamino)methyl]chroman-7-ol CAS Name: oxalic acid; 2-[(pyridin-4-ylmethylamino)methyl]-3,4-dihydro-2H-1-benzopyran-7-ol IUPAC Name: oxalic acid; 2-[(pyridin-4-ylmethylamino)methyl]-3,4-dihydro-2H-chromen-7-ol Traditional Name: oxalic acid; 2-[(4-pyridylmethylamino)methyl]chroman-7-ol Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)O)OC1CNCC3=CC=NC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC2=C(C=C(C=C2)O)OC1CNCC3=CC=NC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H18N2O2.C2H2O4/c19-14-3-1-13-2-4-15(20-16(13)9-14)11-18-10-12-5-7-17-8-6-12;3-1(4)2(5)6/h1,3,5-9,15,18-19H,2,4,10-11H2;(H,3,4)(H,5,6)