2-[tert-butyl-[[4-(chloromethyl)phenyl]carbonyl-ethyl-amino]carbamoyl]benzoic acid

Systemtic Name: 2-[tert-butyl-[[4-(chloromethyl)phenyl]carbonyl-ethyl-amino]carbamoyl]benzoic acid Openeye Name: 2-[tert-butyl-[[4-(chloromethyl)benzoyl]-ethyl-amino]carbamoyl]benzoic acid CAS Name: 2-[[tert-butyl-[[[4-(chloromethyl)phenyl]-oxomethyl]-ethylamino]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[tert-butyl-[[4-(chloromethyl)benzoyl]-ethylamino]carbamoyl]benzoic acid Traditional Name: 2-[tert-butyl-[[4-(chloromethyl)benzoyl]-ethyl-amino]carbamoyl]benzoic acid Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)C1=CC=C(C=C1)CCl)N(C(=O)C2=CC=CC=C2C(=O)O)C(C)(C)C

Isomeric SMILES

CCN(C(=O)C1=CC=C(C=C1)CCl)N(C(=O)C2=CC=CC=C2C(=O)O)C(C)(C)C

InChI

InChI=1S/C22H25ClN2O4/c1-5-24(19(26)16-12-10-15(14-23)11-13-16)25(22(2,3)4)20(27)17-8-6-7-9-18(17)21(28)29/h6-13H,5,14H2,1-4H3,(H,28,29)