5-[1-[(2-tert-butylphenyl)amino]-1-oxidanylidene-octan-3-yl]-2,4-dimethoxy-benzoic acid

Systemtic Name: 5-[1-[(2-tert-butylphenyl)amino]-1-oxidanylidene-octan-3-yl]-2,4-dimethoxy-benzoic acid Openeye Name: 5-[1-[2-(2-tert-butylanilino)-2-oxo-ethyl]hexyl]-2,4-dimethoxy-benzoic acid CAS Name: 5-[1-(2-tert-butylanilino)-1-oxooctan-3-yl]-2,4-dimethoxybenzoic acid IUPAC Name: 5-[1-(2-tert-butylanilino)-1-oxooctan-3-yl]-2,4-dimethoxybenzoic acid Traditional Name: 5-[1-[2-(2-tert-butylanilino)-2-keto-ethyl]hexyl]-2,4-dimethoxy-benzoic acid Formula: C27H37NO5 MolecularWeight: 455.58638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)NC1=CC=CC=C1C(C)(C)C)C2=C(C=C(C(=C2)C(=O)O)OC)OC

Isomeric SMILES

CCCCCC(CC(=O)NC1=CC=CC=C1C(C)(C)C)C2=C(C=C(C(=C2)C(=O)O)OC)OC

InChI

InChI=1S/C27H37NO5/c1-7-8-9-12-18(19-16-20(26(30)31)24(33-6)17-23(19)32-5)15-25(29)28-22-14-11-10-13-21(22)27(2,3)4/h10-11,13-14,16-18H,7-9,12,15H2,1-6H3,(H,28,29)(H,30,31)