2-[3-[2-[(2-butanoyl-4-methoxy-3,5-dimethyl-phenyl)amino]ethanoylamino]-4-tert-butyl-phenyl]ethanoic acid

Systemtic Name: 2-[3-[2-[(2-butanoyl-4-methoxy-3,5-dimethyl-phenyl)amino]ethanoylamino]-4-tert-butyl-phenyl]ethanoic acid Openeye Name: 2-[3-[[2-(2-butanoyl-4-methoxy-3,5-dimethyl-anilino)acetyl]amino]-4-tert-butyl-phenyl]acetic acid CAS Name: 2-[4-tert-butyl-3-[[2-[4-methoxy-3,5-dimethyl-2-(1-oxobutyl)anilino]-1-oxoethyl]amino]phenyl]acetic acid IUPAC Name: 2-[3-[[2-(2-butanoyl-4-methoxy-3,5-dimethylanilino)acetyl]amino]-4-tert-butylphenyl]acetic acid Traditional Name: 2-[4-tert-butyl-3-[[2-(2-butyryl-4-methoxy-3,5-dimethyl-anilino)acetyl]amino]phenyl]acetic acid Formula: C27H36N2O5 MolecularWeight: 468.58514

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C=C(C(=C1C)OC)C)NCC(=O)NC2=C(C=CC(=C2)CC(=O)O)C(C)(C)C

Isomeric SMILES

CCCC(=O)C1=C(C=C(C(=C1C)OC)C)NCC(=O)NC2=C(C=CC(=C2)CC(=O)O)C(C)(C)C

InChI

InChI=1S/C27H36N2O5/c1-8-9-22(30)25-17(3)26(34-7)16(2)12-21(25)28-15-23(31)29-20-13-18(14-24(32)33)10-11-19(20)27(4,5)6/h10-13,28H,8-9,14-15H2,1-7H3,(H,29,31)(H,32,33)