ethanedioic acid; (2-methyl-1,1-diphenyl-3-pyrrolidin-1-yl-propyl) benzoate

Systemtic Name: ethanedioic acid; (2-methyl-1,1-diphenyl-3-pyrrolidin-1-yl-propyl) benzoate Openeye Name: (2-methyl-1,1-diphenyl-3-pyrrolidin-1-yl-propyl) benzoate; oxalic acid CAS Name: benzoic acid [2-methyl-1,1-diphenyl-3-(1-pyrrolidinyl)propyl] ester; oxalic acid IUPAC Name: (2-methyl-1,1-diphenyl-3-pyrrolidin-1-ylpropyl) benzoate; oxalic acid Traditional Name: benzoic acid (2-methyl-1,1-diphenyl-3-pyrrolidino-propyl) ester; oxalic acid Formula: C29H31NO6 MolecularWeight: 489.55954

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CN1CCCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H29NO2.C2H2O4/c1-22(21-28-19-11-12-20-28)27(24-15-7-3-8-16-24,25-17-9-4-10-18-25)30-26(29)23-13-5-2-6-14-23;3-1(4)2(5)6/h2-10,13-18,22H,11-12,19-21H2,1H3;(H,3,4)(H,5,6)