4-[2-[methyl-[2-(3-oxidanylpyrrolidin-1-yl)-1-phenyl-ethyl]amino]-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 4-[2-[methyl-[2-(3-oxidanylpyrrolidin-1-yl)-1-phenyl-ethyl]amino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 4-[2-[[2-(3-hydroxypyrrolidin-1-yl)-1-phenyl-ethyl]-methyl-amino]-2-oxo-ethyl]benzoic acid CAS Name: 4-[2-[[2-(3-hydroxy-1-pyrrolidinyl)-1-phenylethyl]-methylamino]-2-oxoethyl]benzoic acid IUPAC Name: 4-[2-[[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-methylamino]-2-oxoethyl]benzoic acid Traditional Name: 4-[2-[[2-(3-hydroxypyrrolidino)-1-phenyl-ethyl]-methyl-amino]-2-keto-ethyl]benzoic acid Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CN1CCC(C1)O)C2=CC=CC=C2)C(=O)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN(C(CN1CCC(C1)O)C2=CC=CC=C2)C(=O)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H26N2O4/c1-23(21(26)13-16-7-9-18(10-8-16)22(27)28)20(17-5-3-2-4-6-17)15-24-12-11-19(25)14-24/h2-10,19-20,25H,11-15H2,1H3,(H,27,28)