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

Systemtic Name: 2-[[tert-butyl-[4-(chloromethyl)phenyl]carbonyl-amino]carbamoyl]benzoic acid Openeye Name: 2-[[tert-butyl-[4-(chloromethyl)benzoyl]amino]carbamoyl]benzoic acid CAS Name: 2-[[2-tert-butyl-2-[[4-(chloromethyl)phenyl]-oxomethyl]hydrazinyl]-oxomethyl]benzoic acid IUPAC Name: 2-[[tert-butyl-[4-(chloromethyl)benzoyl]amino]carbamoyl]benzoic acid Traditional Name: 2-[[tert-butyl-[4-(chloromethyl)benzoyl]amino]carbamoyl]benzoic acid Formula: C20H21ClN2O4 MolecularWeight: 388.84474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O4/c1-20(2,3)23(18(25)14-10-8-13(12-21)9-11-14)22-17(24)15-6-4-5-7-16(15)19(26)27/h4-11H,12H2,1-3H3,(H,22,24)(H,26,27)