2-[[4-(dodecylcarbamoyl)phenyl]methyl-(1-naphthalen-1-ylethyl)amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[4-(dodecylcarbamoyl)phenyl]methyl-(1-naphthalen-1-ylethyl)amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[4-(dodecylcarbamoyl)phenyl]methyl-[1-(1-naphthyl)ethyl]amino]-2-oxo-acetic acid CAS Name: 2-[[4-[(dodecylamino)-oxomethyl]phenyl]methyl-[1-(1-naphthalenyl)ethyl]amino]-2-oxoacetic acid IUPAC Name: 2-[[4-(dodecylcarbamoyl)phenyl]methyl-(1-naphthalen-1-ylethyl)amino]-2-oxoacetic acid Traditional Name: 2-keto-2-[[4-(laurylcarbamoyl)benzyl]-[1-(1-naphthyl)ethyl]amino]acetic acid Formula: C34H44N2O4 MolecularWeight: 544.72416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)C1=CC=C(C=C1)CN(C(C)C2=CC=CC3=CC=CC=C32)C(=O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCNC(=O)C1=CC=C(C=C1)CN(C(C)C2=CC=CC3=CC=CC=C32)C(=O)C(=O)O

InChI

InChI=1S/C34H44N2O4/c1-3-4-5-6-7-8-9-10-11-14-24-35-32(37)29-22-20-27(21-23-29)25-36(33(38)34(39)40)26(2)30-19-15-17-28-16-12-13-18-31(28)30/h12-13,15-23,26H,3-11,14,24-25H2,1-2H3,(H,35,37)(H,39,40)