2-[4-[ethyl(3-methylbutyl)amino]-2-oxidanyl-phenyl]carbonylbenzoic acid

Systemtic Name: 2-[4-[ethyl(3-methylbutyl)amino]-2-oxidanyl-phenyl]carbonylbenzoic acid Openeye Name: 2-[4-[ethyl(isopentyl)amino]-2-hydroxy-benzoyl]benzoic acid CAS Name: 2-[[4-[ethyl(3-methylbutyl)amino]-2-hydroxyphenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-[ethyl(3-methylbutyl)amino]-2-hydroxybenzoyl]benzoic acid Traditional Name: 2-[4-[ethyl(isoamyl)amino]-2-hydroxy-benzoyl]benzoic acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(C)C)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O

Isomeric SMILES

CCN(CCC(C)C)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O

InChI

InChI=1S/C21H25NO4/c1-4-22(12-11-14(2)3)15-9-10-18(19(23)13-15)20(24)16-7-5-6-8-17(16)21(25)26/h5-10,13-14,23H,4,11-12H2,1-3H3,(H,25,26)