4-[C-(4-carboxyphenyl)-N-[6-(3-decoxyphenoxy)hexoxy]carbonimidoyl]benzoic acid

Systemtic Name: 4-[C-(4-carboxyphenyl)-N-[6-(3-decoxyphenoxy)hexoxy]carbonimidoyl]benzoic acid Openeye Name: 4-[C-(4-carboxyphenyl)-N-[6-(3-decoxyphenoxy)hexoxy]carbonimidoyl]benzoic acid CAS Name: 4-[(4-carboxyphenyl)-[6-(3-decoxyphenoxy)hexoxyimino]methyl]benzoic acid IUPAC Name: 4-[C-(4-carboxyphenyl)-N-[6-(3-decoxyphenoxy)hexoxy]carbonimidoyl]benzoic acid Traditional Name: 4-[C-(4-carboxyphenyl)-N-[6-(3-decoxyphenoxy)hexoxy]carbonimidoyl]benzoic acid Formula: C37H47NO7 MolecularWeight: 617.77158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC(=CC=C1)OCCCCCCON=C(C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=CC(=CC=C1)OCCCCCCON=C(C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C37H47NO7/c1-2-3-4-5-6-7-8-11-25-43-33-15-14-16-34(28-33)44-26-12-9-10-13-27-45-38-35(29-17-21-31(22-18-29)36(39)40)30-19-23-32(24-20-30)37(41)42/h14-24,28H,2-13,25-27H2,1H3,(H,39,40)(H,41,42)