2-[4-(4-chloranylphenoxy)but-2-ynyl]-3,4-dihydro-1H-isoquinoline; ethanedioic acid

Systemtic Name: 2-[4-(4-chloranylphenoxy)but-2-ynyl]-3,4-dihydro-1H-isoquinoline; ethanedioic acid Openeye Name: 2-[4-(4-chlorophenoxy)but-2-ynyl]-3,4-dihydro-1H-isoquinoline; oxalic acid CAS Name: 2-[4-(4-chlorophenoxy)but-2-ynyl]-3,4-dihydro-1H-isoquinoline; oxalic acid IUPAC Name: 2-[4-(4-chlorophenoxy)but-2-ynyl]-3,4-dihydro-1H-isoquinoline; oxalic acid Traditional Name: 2-[4-(4-chlorophenoxy)but-2-ynyl]-3,4-dihydro-1H-isoquinoline; oxalic acid Formula: C21H20ClNO5 MolecularWeight: 401.8402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC#CCOC3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC#CCOC3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H18ClNO.C2H2O4/c20-18-7-9-19(10-8-18)22-14-4-3-12-21-13-11-16-5-1-2-6-17(16)15-21;3-1(4)2(5)6/h1-2,5-10H,11-15H2;(H,3,4)(H,5,6)