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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C)CCCCC(=O)NCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1OC)C)CCCCC(=O)NCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(C)(C)C

InChI

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