2-[(4-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline; ethanedioic acid

Systemtic Name: 2-[(4-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline; ethanedioic acid Openeye Name: 2-[(4-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline; oxalic acid CAS Name: 2-[(4-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline; oxalic acid IUPAC Name: 2-[(4-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline; oxalic acid Traditional Name: 2-(4-chlorobenzyl)-3,4-dihydro-1H-isoquinoline; oxalic acid Formula: C18H18ClNO4 MolecularWeight: 347.79282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H16ClN.C2H2O4/c17-16-7-5-13(6-8-16)11-18-10-9-14-3-1-2-4-15(14)12-18;3-1(4)2(5)6/h1-8H,9-12H2;(H,3,4)(H,5,6)