(Z)-but-2-enedioic acid; ethyl 4-phenyl-1-(2-phenyl-2-piperidin-1-yl-ethyl)piperidine-4-carboxylate

Systemtic Name: (Z)-but-2-enedioic acid; ethyl 4-phenyl-1-(2-phenyl-2-piperidin-1-yl-ethyl)piperidine-4-carboxylate Openeye Name: ethyl 4-phenyl-1-[2-phenyl-2-(1-piperidyl)ethyl]piperidine-4-carboxylate; maleic acid CAS Name: (Z)-2-butenedioic acid; 4-phenyl-1-[2-phenyl-2-(1-piperidinyl)ethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: (Z)-but-2-enedioic acid; ethyl 4-phenyl-1-(2-phenyl-2-piperidin-1-ylethyl)piperidine-4-carboxylate Traditional Name: maleic acid; 4-phenyl-1-(2-phenyl-2-piperidino-ethyl)isonipecotic acid ethyl ester Formula: C31H40N2O6 MolecularWeight: 536.6591

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC(C2=CC=CC=C2)N3CCCCC3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC(C2=CC=CC=C2)N3CCCCC3)C4=CC=CC=C4.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C27H36N2O2.C4H4O4/c1-2-31-26(30)27(24-14-8-4-9-15-24)16-20-28(21-17-27)22-25(23-12-6-3-7-13-23)29-18-10-5-11-19-29;5-3(6)1-2-4(7)8/h3-4,6-9,12-15,25H,2,5,10-11,16-22H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-