(Z)-but-2-enedioic acid; ethyl 1-[2-(4-ethoxycarbonyl-4-phenyl-piperidin-1-yl)-3-phenyl-butyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: (Z)-but-2-enedioic acid; ethyl 1-[2-(4-ethoxycarbonyl-4-phenyl-piperidin-1-yl)-3-phenyl-butyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(4-ethoxycarbonyl-4-phenyl-1-piperidyl)-3-phenyl-butyl]-4-phenyl-piperidine-4-carboxylate; maleic acid CAS Name: (Z)-2-butenedioic acid; 1-[2-(4-ethoxycarbonyl-4-phenyl-1-piperidinyl)-3-phenylbutyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: (Z)-but-2-enedioic acid; ethyl 1-[2-(4-ethoxycarbonyl-4-phenylpiperidin-1-yl)-3-phenylbutyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[2-(4-carbethoxy-4-phenyl-piperidino)-3-phenyl-butyl]-4-phenyl-isonipecotic acid ethyl ester; maleic acid Formula: C42H52N2O8 MolecularWeight: 712.87088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC(C(C)C2=CC=CC=C2)N3CCC(CC3)(C4=CC=CC=C4)C(=O)OCC)C5=CC=CC=C5.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC(C(C)C2=CC=CC=C2)N3CCC(CC3)(C4=CC=CC=C4)C(=O)OCC)C5=CC=CC=C5.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C38H48N2O4.C4H4O4/c1-4-43-35(41)37(32-17-11-7-12-18-32)21-25-39(26-22-37)29-34(30(3)31-15-9-6-10-16-31)40-27-23-38(24-28-40,36(42)44-5-2)33-19-13-8-14-20-33;5-3(6)1-2-4(7)8/h6-20,30,34H,4-5,21-29H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-