4-[[2-[(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)carbamoyl]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2-[(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)carbamoyl]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[(3-tert-butyl-2-hydroxy-5-methyl-phenyl)carbamoyl]anilino]-4-oxo-butanoic acid CAS Name: 4-[2-[(3-tert-butyl-2-hydroxy-5-methylanilino)-oxomethyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)carbamoyl]anilino]-4-oxobutanoic acid Traditional Name: 4-[2-[(3-tert-butyl-2-hydroxy-5-methyl-phenyl)carbamoyl]anilino]-4-keto-butyric acid Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)NC(=O)C2=CC=CC=C2NC(=O)CCC(=O)O)O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)NC(=O)C2=CC=CC=C2NC(=O)CCC(=O)O)O)C(C)(C)C

InChI

InChI=1S/C22H26N2O5/c1-13-11-15(22(2,3)4)20(28)17(12-13)24-21(29)14-7-5-6-8-16(14)23-18(25)9-10-19(26)27/h5-8,11-12,28H,9-10H2,1-4H3,(H,23,25)(H,24,29)(H,26,27)