4-[[[2-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methylamino]methyl]benzoic acid

Systemtic Name: 4-[[[2-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methylamino]methyl]benzoic acid CAS Name: 4-[[[2-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]methyl]benzoic acid IUPAC Name: 4-[[[2-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]methyl]benzoic acid Traditional Name: 4-[[[2-(2-amino-2-keto-ethoxy)-3-methoxy-benzyl]amino]methyl]benzoic acid Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC(=O)N)CNCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OCC(=O)N)CNCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H20N2O5/c1-24-15-4-2-3-14(17(15)25-11-16(19)21)10-20-9-12-5-7-13(8-6-12)18(22)23/h2-8,20H,9-11H2,1H3,(H2,19,21)(H,22,23)