N,N-dimethyl-2-[6-(pyridin-3-ylmethylideneamino)-1,3-benzodioxol-5-yl]ethanamine; 2-oxidanyl-2,2-diphenyl-ethanoic acid

Systemtic Name: N,N-dimethyl-2-[6-(pyridin-3-ylmethylideneamino)-1,3-benzodioxol-5-yl]ethanamine; 2-oxidanyl-2,2-diphenyl-ethanoic acid Openeye Name: N,N-dimethyl-2-[6-(3-pyridylmethyleneamino)-1,3-benzodioxol-5-yl]ethanamine; 2-hydroxy-2,2-diphenyl-acetic acid CAS Name: N,N-dimethyl-2-[6-(3-pyridinylmethylideneamino)-1,3-benzodioxol-5-yl]ethanamine; 2-hydroxy-2,2-diphenylacetic acid IUPAC Name: N,N-dimethyl-2-[6-(pyridin-3-ylmethylideneamino)-1,3-benzodioxol-5-yl]ethanamine; 2-hydroxy-2,2-diphenylacetic acid Traditional Name: benzilic acid; dimethyl-[2-[6-(3-pyridylmethyleneamino)-1,3-benzodioxol-5-yl]ethyl]amine Formula: C31H31N3O5 MolecularWeight: 525.59494

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CC2=C(C=C1N=CC3=CN=CC=C3)OCO2.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)O)O

Isomeric SMILES

CN(C)CCC1=CC2=C(C=C1N=CC3=CN=CC=C3)OCO2.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)O)O

InChI

InChI=1S/C17H19N3O2.C14H12O3/c1-20(2)7-5-14-8-16-17(22-12-21-16)9-15(14)19-11-13-4-3-6-18-10-13;15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h3-4,6,8-11H,5,7,12H2,1-2H3;1-10,17H,(H,15,16)