5-tert-butyl-3-[(4-chlorophenyl)-methyl-amino]-2-methyl-6-oxidanyl-benzoic acid

Systemtic Name: 5-tert-butyl-3-[(4-chlorophenyl)-methyl-amino]-2-methyl-6-oxidanyl-benzoic acid Openeye Name: 3-tert-butyl-5-(4-chloro-N-methyl-anilino)-2-hydroxy-6-methyl-benzoic acid CAS Name: 3-tert-butyl-5-(4-chloro-N-methylanilino)-2-hydroxy-6-methylbenzoic acid IUPAC Name: 3-tert-butyl-5-(4-chloro-N-methylanilino)-2-hydroxy-6-methylbenzoic acid Traditional Name: 3-tert-butyl-5-(4-chloro-N-methyl-anilino)-2-hydroxy-6-methyl-benzoic acid Formula: C19H22ClNO3 MolecularWeight: 347.83588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1C(=O)O)O)C(C)(C)C)N(C)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C=C(C(=C1C(=O)O)O)C(C)(C)C)N(C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H22ClNO3/c1-11-15(21(5)13-8-6-12(20)7-9-13)10-14(19(2,3)4)17(22)16(11)18(23)24/h6-10,22H,1-5H3,(H,23,24)