2-[[4-(dodecylcarbamoyl)phenyl]methyl-[(3-phenylphenyl)methyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[4-(dodecylcarbamoyl)phenyl]methyl-[(3-phenylphenyl)methyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[4-(dodecylcarbamoyl)phenyl]methyl-[(3-phenylphenyl)methyl]amino]-2-oxo-acetic acid CAS Name: 2-[[4-[(dodecylamino)-oxomethyl]phenyl]methyl-[(3-phenylphenyl)methyl]amino]-2-oxoacetic acid IUPAC Name: 2-[[4-(dodecylcarbamoyl)phenyl]methyl-[(3-phenylphenyl)methyl]amino]-2-oxoacetic acid Traditional Name: 2-keto-2-[[4-(laurylcarbamoyl)benzyl]-(3-phenylbenzyl)amino]acetic acid Formula: C35H44N2O4 MolecularWeight: 556.73486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)C1=CC=C(C=C1)CN(CC2=CC=CC(=C2)C3=CC=CC=C3)C(=O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCNC(=O)C1=CC=C(C=C1)CN(CC2=CC=CC(=C2)C3=CC=CC=C3)C(=O)C(=O)O

InChI

InChI=1S/C35H44N2O4/c1-2-3-4-5-6-7-8-9-10-14-24-36-33(38)31-22-20-28(21-23-31)26-37(34(39)35(40)41)27-29-16-15-19-32(25-29)30-17-12-11-13-18-30/h11-13,15-23,25H,2-10,14,24,26-27H2,1H3,(H,36,38)(H,40,41)