(Z)-but-2-enedioic acid; 2-[4-[3-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)propyl]piperazin-1-yl]ethanol

Systemtic Name: (Z)-but-2-enedioic acid; 2-[4-[3-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)propyl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[3-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)propyl]piperazin-1-yl]ethanol; maleic acid CAS Name: (Z)-2-butenedioic acid; 2-[4-[3-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)propyl]-1-piperazinyl]ethanol IUPAC Name: (Z)-but-2-enedioic acid; 2-[4-[3-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)propyl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[3-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)propyl]piperazino]ethanol; maleic acid Formula: C36H45N3O13 MolecularWeight: 727.7548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2CC3=CC=CC=C3CC4=CC=CC=C4C2)CCO.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1N(CCN(C1)CCO)CCCN2CC3=CC=CC=C3CC4=CC=CC=C4C2.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C24H33N3O.3C4H4O4/c28-17-16-26-14-12-25(13-15-26)10-5-11-27-19-23-8-3-1-6-21(23)18-22-7-2-4-9-24(22)20-27;3*5-3(6)1-2-4(7)8/h1-4,6-9,28H,5,10-20H2;3*1-2H,(H,5,6)(H,7,8)/b;3*2-1-