2-methanoyl-4-[2-[6-(4-phenylbutoxy)hexyl-(2-phenylethanoyl)amino]ethanoyl]phenolate

Systemtic Name: 2-methanoyl-4-[2-[6-(4-phenylbutoxy)hexyl-(2-phenylethanoyl)amino]ethanoyl]phenolate Openeye Name: 2-formyl-4-[2-[(2-phenylacetyl)-[6-(4-phenylbutoxy)hexyl]amino]acetyl]phenolate CAS Name: 2-formyl-4-[1-oxo-2-[(1-oxo-2-phenylethyl)-[6-(4-phenylbutoxy)hexyl]amino]ethyl]phenolate IUPAC Name: 2-formyl-4-[2-[(2-phenylacetyl)-[6-(4-phenylbutoxy)hexyl]amino]acetyl]phenolate Traditional Name: 2-formyl-4-[2-[(2-phenylacetyl)-[6-(4-phenylbutoxy)hexyl]amino]acetyl]phenolate Formula: C33H38NO5- MolecularWeight: 528.65852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCOCCCCCCN(CC(=O)C2=CC(=C(C=C2)[O-])C=O)C(=O)CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCCOCCCCCCN(CC(=O)C2=CC(=C(C=C2)[O-])C=O)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C33H39NO5/c35-26-30-24-29(18-19-31(30)36)32(37)25-34(33(38)23-28-16-7-4-8-17-28)20-10-1-2-11-21-39-22-12-9-15-27-13-5-3-6-14-27/h3-8,13-14,16-19,24,26,36H,1-2,9-12,15,20-23,25H2/p-1