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

Systemtic Name: 4-tert-butyl-3-[2-[(4-methoxy-3,5-dimethyl-phenyl)-pentanoyl-amino]ethanoylamino]benzoic acid Openeye Name: 4-tert-butyl-3-[[2-(4-methoxy-3,5-dimethyl-N-pentanoyl-anilino)acetyl]amino]benzoic acid CAS Name: 4-tert-butyl-3-[[2-[4-methoxy-3,5-dimethyl-N-(1-oxopentyl)anilino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[[2-(4-methoxy-3,5-dimethyl-N-pentanoylanilino)acetyl]amino]benzoic acid Traditional Name: 4-tert-butyl-3-[[2-(4-methoxy-3,5-dimethyl-N-valeryl-anilino)acetyl]amino]benzoic acid Formula: C27H36N2O5 MolecularWeight: 468.58514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(C)(C)C)C2=CC(=C(C(=C2)C)OC)C

Isomeric SMILES

CCCCC(=O)N(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(C)(C)C)C2=CC(=C(C(=C2)C)OC)C

InChI

InChI=1S/C27H36N2O5/c1-8-9-10-24(31)29(20-13-17(2)25(34-7)18(3)14-20)16-23(30)28-22-15-19(26(32)33)11-12-21(22)27(4,5)6/h11-15H,8-10,16H2,1-7H3,(H,28,30)(H,32,33)