2-[tert-butyl(4-phenylbutyl)carbamoyl]-4,5-bis(chloranyl)benzoic acid

Systemtic Name: 2-[tert-butyl(4-phenylbutyl)carbamoyl]-4,5-bis(chloranyl)benzoic acid Openeye Name: 2-[tert-butyl(4-phenylbutyl)carbamoyl]-4,5-dichloro-benzoic acid CAS Name: 2-[[tert-butyl(4-phenylbutyl)amino]-oxomethyl]-4,5-dichlorobenzoic acid IUPAC Name: 2-[tert-butyl(4-phenylbutyl)carbamoyl]-4,5-dichlorobenzoic acid Traditional Name: 2-[tert-butyl(4-phenylbutyl)carbamoyl]-4,5-dichloro-benzoic acid Formula: C22H25Cl2NO3 MolecularWeight: 422.3448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CCCCC1=CC=CC=C1)C(=O)C2=CC(=C(C=C2C(=O)O)Cl)Cl

Isomeric SMILES

CC(C)(C)N(CCCCC1=CC=CC=C1)C(=O)C2=CC(=C(C=C2C(=O)O)Cl)Cl

InChI

InChI=1S/C22H25Cl2NO3/c1-22(2,3)25(12-8-7-11-15-9-5-4-6-10-15)20(26)16-13-18(23)19(24)14-17(16)21(27)28/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H,27,28)