4-[[3-[[1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]oxiran-2-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[3-[[1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]oxiran-2-yl]carbonylamino]benzoic acid Openeye Name: 4-[[3-[[1-benzyl-2-(dimethylamino)-2-oxo-ethyl]carbamoyl]oxirane-2-carbonyl]amino]benzoic acid CAS Name: 4-[[[3-[[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-oxiranyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3-[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carbonyl]amino]benzoic acid Traditional Name: 4-[[3-[[1-benzyl-2-(dimethylamino)-2-keto-ethyl]carbamoyl]oxirane-2-carbonyl]amino]benzoic acid Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(CC1=CC=CC=C1)NC(=O)C2C(O2)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN(C)C(=O)C(CC1=CC=CC=C1)NC(=O)C2C(O2)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H23N3O6/c1-25(2)21(28)16(12-13-6-4-3-5-7-13)24-20(27)18-17(31-18)19(26)23-15-10-8-14(9-11-15)22(29)30/h3-11,16-18H,12H2,1-2H3,(H,23,26)(H,24,27)(H,29,30)