4-[3-[(4-chlorophenyl)-(cyanomethyl)amino]propoxy]benzoic acid

Systemtic Name: 4-[3-[(4-chlorophenyl)-(cyanomethyl)amino]propoxy]benzoic acid Openeye Name: 4-[3-[4-chloro-N-(cyanomethyl)anilino]propoxy]benzoic acid CAS Name: 4-[3-[4-chloro-N-(cyanomethyl)anilino]propoxy]benzoic acid IUPAC Name: 4-[3-[4-chloro-N-(cyanomethyl)anilino]propoxy]benzoic acid Traditional Name: 4-[3-[4-chloro-N-(cyanomethyl)anilino]propoxy]benzoic acid Formula: C18H17ClN2O3 MolecularWeight: 344.79218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)OCCCN(CC#N)C2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)OCCCN(CC#N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H17ClN2O3/c19-15-4-6-16(7-5-15)21(12-10-20)11-1-13-24-17-8-2-14(3-9-17)18(22)23/h2-9H,1,11-13H2,(H,22,23)