2-oxidanyl-2,2-diphenyl-ethanoic acid; 1-pyridin-3-yl-N-[6-(2-pyrrolidin-1-ylethyl)-1,3-benzodioxol-5-yl]methanimine

Systemtic Name: 2-oxidanyl-2,2-diphenyl-ethanoic acid; 1-pyridin-3-yl-N-[6-(2-pyrrolidin-1-ylethyl)-1,3-benzodioxol-5-yl]methanimine Openeye Name: 2-hydroxy-2,2-diphenyl-acetic acid; 1-(3-pyridyl)-N-[6-(2-pyrrolidin-1-ylethyl)-1,3-benzodioxol-5-yl]methanimine CAS Name: 2-hydroxy-2,2-diphenylacetic acid; 1-(3-pyridinyl)-N-[6-[2-(1-pyrrolidinyl)ethyl]-1,3-benzodioxol-5-yl]methanimine IUPAC Name: 2-hydroxy-2,2-diphenylacetic acid; 1-pyridin-3-yl-N-[6-(2-pyrrolidin-1-ylethyl)-1,3-benzodioxol-5-yl]methanimine Traditional Name: benzilic acid; 3-pyridylmethylene-[6-(2-pyrrolidinoethyl)-1,3-benzodioxol-5-yl]amine Formula: C33H33N3O5 MolecularWeight: 551.63222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCC2=CC3=C(C=C2N=CC4=CN=CC=C4)OCO3.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)CCC2=CC3=C(C=C2N=CC4=CN=CC=C4)OCO3.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)O)O

InChI

InChI=1S/C19H21N3O2.C14H12O3/c1-2-8-22(7-1)9-5-16-10-18-19(24-14-23-18)11-17(16)21-13-15-4-3-6-20-12-15;15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h3-4,6,10-13H,1-2,5,7-9,14H2;1-10,17H,(H,15,16)