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

Systemtic Name: 2-[[4-(dodecylcarbamoyl)phenyl]methyl-[(4-phenoxyphenyl)methyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[4-(dodecylcarbamoyl)phenyl]methyl-[(4-phenoxyphenyl)methyl]amino]-2-oxo-acetic acid CAS Name: 2-[[4-[(dodecylamino)-oxomethyl]phenyl]methyl-[(4-phenoxyphenyl)methyl]amino]-2-oxoacetic acid IUPAC Name: 2-[[4-(dodecylcarbamoyl)phenyl]methyl-[(4-phenoxyphenyl)methyl]amino]-2-oxoacetic acid Traditional Name: 2-keto-2-[[4-(laurylcarbamoyl)benzyl]-(4-phenoxybenzyl)amino]acetic acid Formula: C35H44N2O5 MolecularWeight: 572.73426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCNC(=O)C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C(=O)O

InChI

InChI=1S/C35H44N2O5/c1-2-3-4-5-6-7-8-9-10-14-25-36-33(38)30-21-17-28(18-22-30)26-37(34(39)35(40)41)27-29-19-23-32(24-20-29)42-31-15-12-11-13-16-31/h11-13,15-24H,2-10,14,25-27H2,1H3,(H,36,38)(H,40,41)