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

Systemtic Name: 2-[[3-(dodecylcarbamoyl)phenyl]methyl-(phenylmethyl)amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[benzyl-[[3-(dodecylcarbamoyl)phenyl]methyl]amino]-2-oxo-acetic acid CAS Name: 2-[[3-[(dodecylamino)-oxomethyl]phenyl]methyl-(phenylmethyl)amino]-2-oxoacetic acid IUPAC Name: 2-[benzyl-[[3-(dodecylcarbamoyl)phenyl]methyl]amino]-2-oxoacetic acid Traditional Name: 2-[benzyl-[3-(laurylcarbamoyl)benzyl]amino]-2-keto-acetic acid Formula: C29H40N2O4 MolecularWeight: 480.6389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N2O4/c1-2-3-4-5-6-7-8-9-10-14-20-30-27(32)26-19-15-18-25(21-26)23-31(28(33)29(34)35)22-24-16-12-11-13-17-24/h11-13,15-19,21H,2-10,14,20,22-23H2,1H3,(H,30,32)(H,34,35)