3-[[2-[3-(methoxymethoxy)pyrrolidin-1-yl]-1-phenyl-ethyl]-methyl-amino]benzoic acid

Systemtic Name: 3-[[2-[3-(methoxymethoxy)pyrrolidin-1-yl]-1-phenyl-ethyl]-methyl-amino]benzoic acid Openeye Name: 3-[[2-[3-(methoxymethoxy)pyrrolidin-1-yl]-1-phenyl-ethyl]-methyl-amino]benzoic acid CAS Name: 3-[[2-[3-(methoxymethoxy)-1-pyrrolidinyl]-1-phenylethyl]-methylamino]benzoic acid IUPAC Name: 3-[[2-[3-(methoxymethoxy)pyrrolidin-1-yl]-1-phenylethyl]-methylamino]benzoic acid Traditional Name: 3-[[2-[3-(methoxymethoxy)pyrrolidino]-1-phenyl-ethyl]-methyl-amino]benzoic acid Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC(=C1)C(=O)O)C(CN2CCC(C2)OCOC)C3=CC=CC=C3

Isomeric SMILES

CN(C1=CC=CC(=C1)C(=O)O)C(CN2CCC(C2)OCOC)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O4/c1-23(19-10-6-9-18(13-19)22(25)26)21(17-7-4-3-5-8-17)15-24-12-11-20(14-24)28-16-27-2/h3-10,13,20-21H,11-12,14-16H2,1-2H3,(H,25,26)