ethyl 1-[1-(4-ethoxycarbonyl-4-phenyl-piperidin-1-ium-1-yl)-2-phenyl-ethyl]-4-phenyl-piperidine-4-carboxylate; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl 1-[1-(4-ethoxycarbonyl-4-phenyl-piperidin-1-ium-1-yl)-2-phenyl-ethyl]-4-phenyl-piperidine-4-carboxylate; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: ethyl 1-[1-(4-ethoxycarbonyl-4-phenyl-piperidin-1-ium-1-yl)-2-phenyl-ethyl]-4-phenyl-piperidine-4-carboxylate; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 1-[1-(4-ethoxycarbonyl-4-phenyl-1-piperidin-1-iumyl)-2-phenylethyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: ethyl 1-[1-(4-ethoxycarbonyl-4-phenylpiperidin-1-ium-1-yl)-2-phenylethyl]-4-phenylpiperidine-4-carboxylate; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 1-[1-(4-carbethoxy-4-phenyl-piperidin-1-ium-1-yl)-2-phenyl-ethyl]-4-phenyl-isonipecotic acid ethyl ester; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C40H48N2O8 MolecularWeight: 684.81772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)C(CC2=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(CC[NH+](CC1)C(CC2=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/C36H44N2O4.C4H4O4/c1-3-41-33(39)35(30-16-10-6-11-17-30)20-24-37(25-21-35)32(28-29-14-8-5-9-15-29)38-26-22-36(23-27-38,34(40)42-4-2)31-18-12-7-13-19-31;5-3(6)1-2-4(7)8/h5-19,32H,3-4,20-28H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-