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

Systemtic Name: 6-chloranyl-2-[[(phenylmethyl)amino]methyl]-3,4-dihydro-2H-chromen-7-ol; ethanedioic acid Openeye Name: 2-[(benzylamino)methyl]-6-chloro-chroman-7-ol; oxalic acid CAS Name: 6-chloro-2-[[(phenylmethyl)amino]methyl]-3,4-dihydro-2H-1-benzopyran-7-ol; oxalic acid IUPAC Name: 2-[(benzylamino)methyl]-6-chloro-3,4-dihydro-2H-chromen-7-ol; oxalic acid Traditional Name: 2-[(benzylamino)methyl]-6-chloro-chroman-7-ol; oxalic acid Formula: C19H20ClNO6 MolecularWeight: 393.8182

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC(=C(C=C2OC1CNCC3=CC=CC=C3)O)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC2=CC(=C(C=C2OC1CNCC3=CC=CC=C3)O)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H18ClNO2.C2H2O4/c18-15-8-13-6-7-14(21-17(13)9-16(15)20)11-19-10-12-4-2-1-3-5-12;3-1(4)2(5)6/h1-5,8-9,14,19-20H,6-7,10-11H2;(H,3,4)(H,5,6)