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

Systemtic Name: 2-[[4-(dodecylcarbamoyl)phenyl]methyl-propan-2-yl-amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[4-(dodecylcarbamoyl)phenyl]methyl-isopropyl-amino]-2-oxo-acetic acid CAS Name: 2-[[4-[(dodecylamino)-oxomethyl]phenyl]methyl-propan-2-ylamino]-2-oxoacetic acid IUPAC Name: 2-[[4-(dodecylcarbamoyl)phenyl]methyl-propan-2-ylamino]-2-oxoacetic acid Traditional Name: 2-[isopropyl-[4-(laurylcarbamoyl)benzyl]amino]-2-keto-acetic acid Formula: C25H40N2O4 MolecularWeight: 432.5961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40N2O4/c1-4-5-6-7-8-9-10-11-12-13-18-26-23(28)22-16-14-21(15-17-22)19-27(20(2)3)24(29)25(30)31/h14-17,20H,4-13,18-19H2,1-3H3,(H,26,28)(H,30,31)