3-[[4-[[[3,5-bis(chloranyl)phenyl]methyl-(4-tert-butylcyclohexyl)amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[[3,5-bis(chloranyl)phenyl]methyl-(4-tert-butylcyclohexyl)amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[(4-tert-butylcyclohexyl)-[(3,5-dichlorophenyl)methyl]amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[(4-tert-butylcyclohexyl)-[(3,5-dichlorophenyl)methyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[(4-tert-butylcyclohexyl)-[(3,5-dichlorophenyl)methyl]amino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[(4-tert-butylcyclohexyl)-(3,5-dichlorobenzyl)amino]methyl]benzoyl]amino]propionic acid Formula: C28H36Cl2N2O3 MolecularWeight: 519.50304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)CC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)CC3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C28H36Cl2N2O3/c1-28(2,3)22-8-10-25(11-9-22)32(18-20-14-23(29)16-24(30)15-20)17-19-4-6-21(7-5-19)27(35)31-13-12-26(33)34/h4-7,14-16,22,25H,8-13,17-18H2,1-3H3,(H,31,35)(H,33,34)