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

Systemtic Name: 2-oxidanyl-2,2-diphenyl-ethanoic acid; N-[6-(2-piperidin-1-ylethyl)-1,3-benzodioxol-5-yl]-1-thiophen-2-yl-methanimine Openeye Name: 2-hydroxy-2,2-diphenyl-acetic acid; N-[6-[2-(1-piperidyl)ethyl]-1,3-benzodioxol-5-yl]-1-(2-thienyl)methanimine CAS Name: 2-hydroxy-2,2-diphenylacetic acid; N-[6-[2-(1-piperidinyl)ethyl]-1,3-benzodioxol-5-yl]-1-thiophen-2-ylmethanimine IUPAC Name: 2-hydroxy-2,2-diphenylacetic acid; N-[6-(2-piperidin-1-ylethyl)-1,3-benzodioxol-5-yl]-1-thiophen-2-ylmethanimine Traditional Name: benzilic acid; [6-(2-piperidinoethyl)-1,3-benzodioxol-5-yl]-(2-thenylidene)amine Formula: C33H34N2O5S MolecularWeight: 570.69846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC2=CC3=C(C=C2N=CC4=CC=CS4)OCO3.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)CCC2=CC3=C(C=C2N=CC4=CC=CS4)OCO3.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)O)O

InChI

InChI=1S/C19H22N2O2S.C14H12O3/c1-2-7-21(8-3-1)9-6-15-11-18-19(23-14-22-18)12-17(15)20-13-16-5-4-10-24-16;15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h4-5,10-13H,1-3,6-9,14H2;1-10,17H,(H,15,16)