1-[1-(4-chlorophenyl)cyclobutyl]-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline-6,7-diol; ethanedioic acid

Systemtic Name: 1-[1-(4-chlorophenyl)cyclobutyl]-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline-6,7-diol; ethanedioic acid Openeye Name: 2-allyl-1-[1-(4-chlorophenyl)cyclobutyl]-3,4-dihydro-1H-isoquinoline-6,7-diol; oxalic acid CAS Name: 1-[1-(4-chlorophenyl)cyclobutyl]-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline-6,7-diol; oxalic acid IUPAC Name: 1-[1-(4-chlorophenyl)cyclobutyl]-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline-6,7-diol; oxalic acid Traditional Name: 2-allyl-1-[1-(4-chlorophenyl)cyclobutyl]-3,4-dihydro-1H-isoquinoline-6,7-diol; oxalic acid Formula: C24H26ClNO6 MolecularWeight: 459.91934

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCC2=CC(=C(C=C2C1C3(CCC3)C4=CC=C(C=C4)Cl)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C=CCN1CCC2=CC(=C(C=C2C1C3(CCC3)C4=CC=C(C=C4)Cl)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H24ClNO2.C2H2O4/c1-2-11-24-12-8-15-13-19(25)20(26)14-18(15)21(24)22(9-3-10-22)16-4-6-17(23)7-5-16;3-1(4)2(5)6/h2,4-7,13-14,21,25-26H,1,3,8-12H2;(H,3,4)(H,5,6)