4-[(3-chloranyl-4-prop-2-enoxy-phenyl)methylamino]benzoic acid

Systemtic Name: 4-[(3-chloranyl-4-prop-2-enoxy-phenyl)methylamino]benzoic acid Openeye Name: 4-[(4-allyloxy-3-chloro-phenyl)methylamino]benzoic acid CAS Name: 4-[(3-chloro-4-prop-2-enoxyphenyl)methylamino]benzoic acid IUPAC Name: 4-[(3-chloro-4-prop-2-enoxyphenyl)methylamino]benzoic acid Traditional Name: 4-[(4-allyloxy-3-chloro-benzyl)amino]benzoic acid Formula: C17H16ClNO3 MolecularWeight: 317.76684

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C(C=C1)CNC2=CC=C(C=C2)C(=O)O)Cl

Isomeric SMILES

C=CCOC1=C(C=C(C=C1)CNC2=CC=C(C=C2)C(=O)O)Cl

InChI

InChI=1S/C17H16ClNO3/c1-2-9-22-16-8-3-12(10-15(16)18)11-19-14-6-4-13(5-7-14)17(20)21/h2-8,10,19H,1,9,11H2,(H,20,21)