4-[[[2-(2-azanyl-2-oxidanylidene-ethoxy)-5-chloranyl-phenyl]methylamino]methyl]benzoic acid

Systemtic Name: 4-[[[2-(2-azanyl-2-oxidanylidene-ethoxy)-5-chloranyl-phenyl]methylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(2-amino-2-oxo-ethoxy)-5-chloro-phenyl]methylamino]methyl]benzoic acid CAS Name: 4-[[[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylamino]methyl]benzoic acid IUPAC Name: 4-[[[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylamino]methyl]benzoic acid Traditional Name: 4-[[[2-(2-amino-2-keto-ethoxy)-5-chloro-benzyl]amino]methyl]benzoic acid Formula: C17H17ClN2O4 MolecularWeight: 348.78088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNCC2=C(C=CC(=C2)Cl)OCC(=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNCC2=C(C=CC(=C2)Cl)OCC(=O)N)C(=O)O

InChI

InChI=1S/C17H17ClN2O4/c18-14-5-6-15(24-10-16(19)21)13(7-14)9-20-8-11-1-3-12(4-2-11)17(22)23/h1-7,20H,8-10H2,(H2,19,21)(H,22,23)