4-[(3-chloranyl-4-octoxy-phenyl)iminomethyl]benzoic acid

Systemtic Name: 4-[(3-chloranyl-4-octoxy-phenyl)iminomethyl]benzoic acid Openeye Name: 4-[(3-chloro-4-octoxy-phenyl)iminomethyl]benzoic acid CAS Name: 4-[(3-chloro-4-octoxyphenyl)iminomethyl]benzoic acid IUPAC Name: 4-[(3-chloro-4-octoxyphenyl)iminomethyl]benzoic acid Traditional Name: 4-[(3-chloro-4-octoxy-phenyl)iminomethyl]benzoic acid Formula: C22H26ClNO3 MolecularWeight: 387.89974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)N=CC2=CC=C(C=C2)C(=O)O)Cl

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)N=CC2=CC=C(C=C2)C(=O)O)Cl

InChI

InChI=1S/C22H26ClNO3/c1-2-3-4-5-6-7-14-27-21-13-12-19(15-20(21)23)24-16-17-8-10-18(11-9-17)22(25)26/h8-13,15-16H,2-7,14H2,1H3,(H,25,26)