ethanedioic acid; [1-[2-(5-oxidanylidene-4,4-diphenyl-1-propan-2-yl-pyrrolidin-3-yl)ethyl]-4-phenyl-piperidin-4-yl] propanoate

Systemtic Name: ethanedioic acid; [1-[2-(5-oxidanylidene-4,4-diphenyl-1-propan-2-yl-pyrrolidin-3-yl)ethyl]-4-phenyl-piperidin-4-yl] propanoate Openeye Name: [1-[2-(1-isopropyl-5-oxo-4,4-diphenyl-pyrrolidin-3-yl)ethyl]-4-phenyl-4-piperidyl] propanoate; oxalic acid CAS Name: oxalic acid; propanoic acid [1-[2-(5-oxo-4,4-diphenyl-1-propan-2-yl-3-pyrrolidinyl)ethyl]-4-phenyl-4-piperidinyl] ester IUPAC Name: oxalic acid; [1-[2-(5-oxo-4,4-diphenyl-1-propan-2-ylpyrrolidin-3-yl)ethyl]-4-phenylpiperidin-4-yl] propanoate Traditional Name: oxalic acid; propionic acid [1-[2-(1-isopropyl-5-keto-4,4-diphenyl-pyrrolidin-3-yl)ethyl]-4-phenyl-4-piperidyl] ester Formula: C37H44N2O7 MolecularWeight: 628.75446

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(CCN(CC1)CCC2CN(C(=O)C2(C3=CC=CC=C3)C4=CC=CC=C4)C(C)C)C5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(=O)OC1(CCN(CC1)CCC2CN(C(=O)C2(C3=CC=CC=C3)C4=CC=CC=C4)C(C)C)C5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C35H42N2O3.C2H2O4/c1-4-32(38)40-34(28-14-8-5-9-15-28)21-24-36(25-22-34)23-20-31-26-37(27(2)3)33(39)35(31,29-16-10-6-11-17-29)30-18-12-7-13-19-30;3-1(4)2(5)6/h5-19,27,31H,4,20-26H2,1-3H3;(H,3,4)(H,5,6)