2-[[4-(dodecylcarbamoyl)phenyl]methyl-[(4-pentylphenyl)methyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[4-(dodecylcarbamoyl)phenyl]methyl-[(4-pentylphenyl)methyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[4-(dodecylcarbamoyl)phenyl]methyl-[(4-pentylphenyl)methyl]amino]-2-oxo-acetic acid CAS Name: 2-[[4-[(dodecylamino)-oxomethyl]phenyl]methyl-[(4-pentylphenyl)methyl]amino]-2-oxoacetic acid IUPAC Name: 2-[[4-(dodecylcarbamoyl)phenyl]methyl-[(4-pentylphenyl)methyl]amino]-2-oxoacetic acid Traditional Name: 2-[(4-amylbenzyl)-[4-(laurylcarbamoyl)benzyl]amino]-2-keto-acetic acid Formula: C34H50N2O4 MolecularWeight: 550.7718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)CCCCC)C(=O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCNC(=O)C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)CCCCC)C(=O)C(=O)O

InChI

InChI=1S/C34H50N2O4/c1-3-5-7-8-9-10-11-12-13-15-25-35-32(37)31-23-21-30(22-24-31)27-36(33(38)34(39)40)26-29-19-17-28(18-20-29)16-14-6-4-2/h17-24H,3-16,25-27H2,1-2H3,(H,35,37)(H,39,40)