2-[[4-(dodecylcarbamoyl)phenyl]methyl-(1-methoxypropan-2-yl)amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[4-(dodecylcarbamoyl)phenyl]methyl-(1-methoxypropan-2-yl)amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[4-(dodecylcarbamoyl)phenyl]methyl-(2-methoxy-1-methyl-ethyl)amino]-2-oxo-acetic acid CAS Name: 2-[[4-[(dodecylamino)-oxomethyl]phenyl]methyl-(1-methoxypropan-2-yl)amino]-2-oxoacetic acid IUPAC Name: 2-[[4-(dodecylcarbamoyl)phenyl]methyl-(1-methoxypropan-2-yl)amino]-2-oxoacetic acid Traditional Name: 2-keto-2-[[4-(laurylcarbamoyl)benzyl]-(2-methoxy-1-methyl-ethyl)amino]acetic acid Formula: C26H42N2O5 MolecularWeight: 462.62208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)C1=CC=C(C=C1)CN(C(C)COC)C(=O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCNC(=O)C1=CC=C(C=C1)CN(C(C)COC)C(=O)C(=O)O

InChI

InChI=1S/C26H42N2O5/c1-4-5-6-7-8-9-10-11-12-13-18-27-24(29)23-16-14-22(15-17-23)19-28(21(2)20-33-3)25(30)26(31)32/h14-17,21H,4-13,18-20H2,1-3H3,(H,27,29)(H,31,32)