(Z)-but-2-enedioic acid; [1-(4-phenothiazin-10-ylbutyl)piperidin-4-yl]-diphenyl-methanol

Systemtic Name: (Z)-but-2-enedioic acid; [1-(4-phenothiazin-10-ylbutyl)piperidin-4-yl]-diphenyl-methanol Openeye Name: maleic acid; [1-(4-phenothiazin-10-ylbutyl)-4-piperidyl]-diphenyl-methanol CAS Name: (Z)-2-butenedioic acid; [1-[4-(10-phenothiazinyl)butyl]-4-piperidinyl]-diphenylmethanol IUPAC Name: (Z)-but-2-enedioic acid; [1-(4-phenothiazin-10-ylbutyl)piperidin-4-yl]-diphenylmethanol Traditional Name: maleic acid; [1-(4-phenothiazin-10-ylbutyl)-4-piperidyl]-diphenyl-methanol Formula: C38H40N2O5S MolecularWeight: 636.7996

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCCCN4C5=CC=CC=C5SC6=CC=CC=C64.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCCCN4C5=CC=CC=C5SC6=CC=CC=C64.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C34H36N2OS.C4H4O4/c37-34(27-13-3-1-4-14-27,28-15-5-2-6-16-28)29-21-25-35(26-22-29)23-11-12-24-36-30-17-7-9-19-32(30)38-33-20-10-8-18-31(33)36;5-3(6)1-2-4(7)8/h1-10,13-20,29,37H,11-12,21-26H2;1-2H,(H,5,6)(H,7,8)/b;2-1-