benzoic acid; ethanedioic acid; 2-methyl-1,1-diphenyl-3-pyrrolidin-1-yl-propan-1-ol

Systemtic Name: benzoic acid; ethanedioic acid; 2-methyl-1,1-diphenyl-3-pyrrolidin-1-yl-propan-1-ol Openeye Name: benzoic acid; 2-methyl-1,1-diphenyl-3-pyrrolidin-1-yl-propan-1-ol; oxalic acid CAS Name: benzoic acid; 2-methyl-1,1-diphenyl-3-(1-pyrrolidinyl)-1-propanol; oxalic acid IUPAC Name: benzoic acid; 2-methyl-1,1-diphenyl-3-pyrrolidin-1-ylpropan-1-ol; oxalic acid Traditional Name: benzoic acid; 2-methyl-1,1-diphenyl-3-pyrrolidino-propan-1-ol; oxalic acid Formula: C29H33NO7 MolecularWeight: 507.57482

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.C1=CC=C(C=C1)C(=O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CN1CCCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.C1=CC=C(C=C1)C(=O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25NO.C7H6O2.C2H2O4/c1-17(16-21-14-8-9-15-21)20(22,18-10-4-2-5-11-18)19-12-6-3-7-13-19;8-7(9)6-4-2-1-3-5-6;3-1(4)2(5)6/h2-7,10-13,17,22H,8-9,14-16H2,1H3;1-5H,(H,8,9);(H,3,4)(H,5,6)