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

Systemtic Name: ethanedioic acid; 2-[[(phenylmethyl)amino]methyl]-3,4-dihydro-2H-chromen-7-ol Openeye Name: 2-[(benzylamino)methyl]chroman-7-ol; oxalic acid CAS Name: oxalic acid; 2-[[(phenylmethyl)amino]methyl]-3,4-dihydro-2H-1-benzopyran-7-ol IUPAC Name: 2-[(benzylamino)methyl]-3,4-dihydro-2H-chromen-7-ol; oxalic acid Traditional Name: 2-[(benzylamino)methyl]chroman-7-ol; oxalic acid Formula: C19H21NO6 MolecularWeight: 359.37314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO2.C2H2O4/c19-15-8-6-14-7-9-16(20-17(14)10-15)12-18-11-13-4-2-1-3-5-13;3-1(4)2(5)6/h1-6,8,10,16,18-19H,7,9,11-12H2;(H,3,4)(H,5,6)