3-[[5-chloranyl-2-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]methylamino]benzoic acid

Systemtic Name: 3-[[5-chloranyl-2-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]methylamino]benzoic acid Openeye Name: 3-[[2-(2-anilino-2-oxo-ethoxy)-5-chloro-phenyl]methylamino]benzoic acid CAS Name: 3-[[2-(2-anilino-2-oxoethoxy)-5-chlorophenyl]methylamino]benzoic acid IUPAC Name: 3-[[2-(2-anilino-2-oxoethoxy)-5-chlorophenyl]methylamino]benzoic acid Traditional Name: 3-[[2-(2-anilino-2-keto-ethoxy)-5-chloro-benzyl]amino]benzoic acid Formula: C22H19ClN2O4 MolecularWeight: 410.85026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Cl)CNC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Cl)CNC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C22H19ClN2O4/c23-17-9-10-20(29-14-21(26)25-18-6-2-1-3-7-18)16(11-17)13-24-19-8-4-5-15(12-19)22(27)28/h1-12,24H,13-14H2,(H,25,26)(H,27,28)