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

Systemtic Name: 2-[tert-butyl-[[4-(chloromethyl)phenyl]carbonyl-methyl-amino]carbamoyl]benzoic acid Openeye Name: 2-[tert-butyl-[[4-(chloromethyl)benzoyl]-methyl-amino]carbamoyl]benzoic acid CAS Name: 2-[[tert-butyl-[[[4-(chloromethyl)phenyl]-oxomethyl]-methylamino]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[tert-butyl-[[4-(chloromethyl)benzoyl]-methylamino]carbamoyl]benzoic acid Traditional Name: 2-[tert-butyl-[[4-(chloromethyl)benzoyl]-methyl-amino]carbamoyl]benzoic acid Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C(=O)C1=CC=CC=C1C(=O)O)N(C)C(=O)C2=CC=C(C=C2)CCl

Isomeric SMILES

CC(C)(C)N(C(=O)C1=CC=CC=C1C(=O)O)N(C)C(=O)C2=CC=C(C=C2)CCl

InChI

InChI=1S/C21H23ClN2O4/c1-21(2,3)24(19(26)16-7-5-6-8-17(16)20(27)28)23(4)18(25)15-11-9-14(13-22)10-12-15/h5-12H,13H2,1-4H3,(H,27,28)