2,3-bis(phenylcarbonyloxy)butanedioic acid; 1-[1-(2-bromophenyl)cyclobutyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 2,3-bis(phenylcarbonyloxy)butanedioic acid; 1-[1-(2-bromophenyl)cyclobutyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Openeye Name: 1-[1-(2-bromophenyl)cyclobutyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline; 2,3-dibenzoyloxybutanedioic acid CAS Name: 1-[1-(2-bromophenyl)cyclobutyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline; 2,3-dibenzoyloxybutanedioic acid IUPAC Name: 1-[1-(2-bromophenyl)cyclobutyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline; 2,3-dibenzoyloxybutanedioic acid Traditional Name: 1-[1-(2-bromophenyl)cyclobutyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline; 2,3-dibenzoyloxysuccinic acid Formula: C39H38BrNO10 MolecularWeight: 760.62372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(NCCC2=C1)C3(CCC3)C4=CC=CC=C4Br)OC.C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC1=C(C=C2C(NCCC2=C1)C3(CCC3)C4=CC=CC=C4Br)OC.C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H24BrNO2.C18H14O8/c1-24-18-12-14-8-11-23-20(15(14)13-19(18)25-2)21(9-5-10-21)16-6-3-4-7-17(16)22;19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h3-4,6-7,12-13,20,23H,5,8-11H2,1-2H3;1-10,13-14H,(H,19,20)(H,21,22)