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

Systemtic Name: 2-[(4-dimethylaminophenyl)methyl-[[4-(dodecylcarbamoyl)phenyl]methyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[(4-dimethylaminophenyl)methyl-[[4-(dodecylcarbamoyl)phenyl]methyl]amino]-2-oxo-acetic acid CAS Name: 2-[(4-dimethylaminophenyl)methyl-[[4-[(dodecylamino)-oxomethyl]phenyl]methyl]amino]-2-oxoacetic acid IUPAC Name: 2-[(4-dimethylaminophenyl)methyl-[[4-(dodecylcarbamoyl)phenyl]methyl]amino]-2-oxoacetic acid Traditional Name: 2-[[4-(dimethylamino)benzyl]-[4-(laurylcarbamoyl)benzyl]amino]-2-keto-acetic acid Formula: C31H45N3O4 MolecularWeight: 523.7067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H45N3O4/c1-4-5-6-7-8-9-10-11-12-13-22-32-29(35)27-18-14-25(15-19-27)23-34(30(36)31(37)38)24-26-16-20-28(21-17-26)33(2)3/h14-21H,4-13,22-24H2,1-3H3,(H,32,35)(H,37,38)