2-[[3,5-bis(octylcarbamoyl)phenyl]-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[3,5-bis(octylcarbamoyl)phenyl]-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[N-(carboxymethyl)-3,5-bis(octylcarbamoyl)anilino]acetic acid CAS Name: 2-[N-(carboxymethyl)-3,5-bis[(octylamino)-oxomethyl]anilino]acetic acid IUPAC Name: 2-[N-(carboxymethyl)-3,5-bis(octylcarbamoyl)anilino]acetic acid Traditional Name: 2-[N-(carboxymethyl)-3,5-bis(octylcarbamoyl)anilino]acetic acid Formula: C28H45N3O6 MolecularWeight: 519.6734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C1=CC(=CC(=C1)N(CC(=O)O)CC(=O)O)C(=O)NCCCCCCCC

Isomeric SMILES

CCCCCCCCNC(=O)C1=CC(=CC(=C1)N(CC(=O)O)CC(=O)O)C(=O)NCCCCCCCC

InChI

InChI=1S/C28H45N3O6/c1-3-5-7-9-11-13-15-29-27(36)22-17-23(28(37)30-16-14-12-10-8-6-4-2)19-24(18-22)31(20-25(32)33)21-26(34)35/h17-19H,3-16,20-21H2,1-2H3,(H,29,36)(H,30,37)(H,32,33)(H,34,35)