16-[[2-(4-azanyl-4-oxidanylidene-butoxy)phenyl]amino]-16-oxidanylidene-hexadecanoic acid

Systemtic Name: 16-[[2-(4-azanyl-4-oxidanylidene-butoxy)phenyl]amino]-16-oxidanylidene-hexadecanoic acid Openeye Name: 16-[2-(4-amino-4-oxo-butoxy)anilino]-16-oxo-hexadecanoic acid CAS Name: 16-[2-(4-amino-4-oxobutoxy)anilino]-16-oxohexadecanoic acid IUPAC Name: 16-[2-(4-amino-4-oxobutoxy)anilino]-16-oxohexadecanoic acid Traditional Name: 16-[2-(4-amino-4-keto-butoxy)anilino]-16-keto-palmitic acid Formula: C26H42N2O5 MolecularWeight: 462.62208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCCCCCC(=O)O)OCCCC(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCCCCCC(=O)O)OCCCC(=O)N

InChI

InChI=1S/C26H42N2O5/c27-24(29)18-15-21-33-23-17-14-13-16-22(23)28-25(30)19-11-9-7-5-3-1-2-4-6-8-10-12-20-26(31)32/h13-14,16-17H,1-12,15,18-21H2,(H2,27,29)(H,28,30)(H,31,32)