(E)-but-2-enedioic acid; 7-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline

Systemtic Name: (E)-but-2-enedioic acid; 7-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline Openeye Name: fumaric acid; 7-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline CAS Name: (E)-2-butenedioic acid; 7-methoxy-3-[(4-methyl-1-piperazinyl)methyl]-1-phenyl-3,4-dihydroisoquinoline IUPAC Name: (E)-but-2-enedioic acid; 7-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline Traditional Name: fumaric acid; 7-methoxy-3-[(4-methylpiperazino)methyl]-1-phenyl-3,4-dihydroisoquinoline Formula: C30H35N3O9 MolecularWeight: 581.6136

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2CC3=C(C=C(C=C3)OC)C(=N2)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CC2N=C(C3=C(C2)C=CC(=C3)OC)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H27N3O.2C4H4O4/c1-24-10-12-25(13-11-24)16-19-14-18-8-9-20(26-2)15-21(18)22(23-19)17-6-4-3-5-7-17;2*5-3(6)1-2-4(7)8/h3-9,15,19H,10-14,16H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+