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

Systemtic Name: (Z)-but-2-enedioic acid; ethyl 4-phenyl-1-(2-phenyl-2-pyrrolidin-1-yl-ethyl)piperidine-4-carboxylate Openeye Name: ethyl 4-phenyl-1-(2-phenyl-2-pyrrolidin-1-yl-ethyl)piperidine-4-carboxylate; maleic acid CAS Name: (Z)-2-butenedioic acid; 4-phenyl-1-[2-phenyl-2-(1-pyrrolidinyl)ethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: (Z)-but-2-enedioic acid; ethyl 4-phenyl-1-(2-phenyl-2-pyrrolidin-1-ylethyl)piperidine-4-carboxylate Traditional Name: maleic acid; 4-phenyl-1-(2-phenyl-2-pyrrolidino-ethyl)isonipecotic acid ethyl ester Formula: C30H38N2O6 MolecularWeight: 522.63252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC(C2=CC=CC=C2)N3CCCC3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC(C2=CC=CC=C2)N3CCCC3)C4=CC=CC=C4.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C26H34N2O2.C4H4O4/c1-2-30-25(29)26(23-13-7-4-8-14-23)15-19-27(20-16-26)21-24(28-17-9-10-18-28)22-11-5-3-6-12-22;5-3(6)1-2-4(7)8/h3-8,11-14,24H,2,9-10,15-21H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-