3-[[4-[[(4-butoxyphenyl)carbamoyl-(4-tert-butylcyclohexyl)amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[(4-butoxyphenyl)carbamoyl-(4-tert-butylcyclohexyl)amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[(4-butoxyphenyl)carbamoyl-(4-tert-butylcyclohexyl)amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[[(4-butoxyanilino)-oxomethyl]-(4-tert-butylcyclohexyl)amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[(4-butoxyphenyl)carbamoyl-(4-tert-butylcyclohexyl)amino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[(4-butoxyphenyl)carbamoyl-(4-tert-butylcyclohexyl)amino]methyl]benzoyl]amino]propionic acid Formula: C32H45N3O5 MolecularWeight: 551.7168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)N(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)C3CCC(CC3)C(C)(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)N(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)C3CCC(CC3)C(C)(C)C

InChI

InChI=1S/C32H45N3O5/c1-5-6-21-40-28-17-13-26(14-18-28)34-31(39)35(27-15-11-25(12-16-27)32(2,3)4)22-23-7-9-24(10-8-23)30(38)33-20-19-29(36)37/h7-10,13-14,17-18,25,27H,5-6,11-12,15-16,19-22H2,1-4H3,(H,33,38)(H,34,39)(H,36,37)