2-[2,3-dihydro-1H-inden-1-yl-[[4-(dodecylcarbamoyl)phenyl]methyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[2,3-dihydro-1H-inden-1-yl-[[4-(dodecylcarbamoyl)phenyl]methyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[4-(dodecylcarbamoyl)phenyl]methyl-indan-1-yl-amino]-2-oxo-acetic acid CAS Name: 2-[2,3-dihydro-1H-inden-1-yl-[[4-[(dodecylamino)-oxomethyl]phenyl]methyl]amino]-2-oxoacetic acid IUPAC Name: 2-[2,3-dihydro-1H-inden-1-yl-[[4-(dodecylcarbamoyl)phenyl]methyl]amino]-2-oxoacetic acid Traditional Name: 2-[indan-1-yl-[4-(laurylcarbamoyl)benzyl]amino]-2-keto-acetic acid Formula: C31H42N2O4 MolecularWeight: 506.67618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)C1=CC=C(C=C1)CN(C2CCC3=CC=CC=C23)C(=O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCNC(=O)C1=CC=C(C=C1)CN(C2CCC3=CC=CC=C23)C(=O)C(=O)O

InChI

InChI=1S/C31H42N2O4/c1-2-3-4-5-6-7-8-9-10-13-22-32-29(34)26-18-16-24(17-19-26)23-33(30(35)31(36)37)28-21-20-25-14-11-12-15-27(25)28/h11-12,14-19,28H,2-10,13,20-23H2,1H3,(H,32,34)(H,36,37)