2-[carboxymethyl-(4-octylphenyl)amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-(4-octylphenyl)amino]ethanoic acid Openeye Name: 2-[N-(carboxymethyl)-4-octyl-anilino]acetic acid CAS Name: 2-[N-(carboxymethyl)-4-octylanilino]acetic acid IUPAC Name: 2-[N-(carboxymethyl)-4-octylanilino]acetic acid Traditional Name: 2-[N-(carboxymethyl)-4-octyl-anilino]acetic acid Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C18H27NO4/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)19(13-17(20)21)14-18(22)23/h9-12H,2-8,13-14H2,1H3,(H,20,21)(H,22,23)