2-[(4-cyanophenyl)methyl-[[3-(dodecylcarbamoyl)phenyl]methyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)methyl-[[3-(dodecylcarbamoyl)phenyl]methyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[(4-cyanophenyl)methyl-[[3-(dodecylcarbamoyl)phenyl]methyl]amino]-2-oxo-acetic acid CAS Name: 2-[(4-cyanophenyl)methyl-[[3-[(dodecylamino)-oxomethyl]phenyl]methyl]amino]-2-oxoacetic acid IUPAC Name: 2-[(4-cyanophenyl)methyl-[[3-(dodecylcarbamoyl)phenyl]methyl]amino]-2-oxoacetic acid Traditional Name: 2-[(4-cyanobenzyl)-[3-(laurylcarbamoyl)benzyl]amino]-2-keto-acetic acid Formula: C30H39N3O4 MolecularWeight: 505.64836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H39N3O4/c1-2-3-4-5-6-7-8-9-10-11-19-32-28(34)27-14-12-13-26(20-27)23-33(29(35)30(36)37)22-25-17-15-24(21-31)16-18-25/h12-18,20H,2-11,19,22-23H2,1H3,(H,32,34)(H,36,37)