3-(5-carbamimidoyl-1-benzofuran-2-yl)-3-oxidanylidene-2-phenoxy-propanoic acid; methanamine

Systemtic Name: 3-(5-carbamimidoyl-1-benzofuran-2-yl)-3-oxidanylidene-2-phenoxy-propanoic acid; methanamine Openeye Name: 3-(5-carbamimidoylbenzofuran-2-yl)-3-oxo-2-phenoxy-propanoic acid; methanamine CAS Name: 3-(5-carbamimidoyl-2-benzofuranyl)-3-oxo-2-phenoxypropanoic acid; methanamine IUPAC Name: 3-(5-carbamimidoyl-1-benzofuran-2-yl)-3-oxo-2-phenoxypropanoic acid; methanamine Traditional Name: 3-(5-amidinobenzofuran-2-yl)-3-keto-2-phenoxy-propionic acid; methylamine Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

CN.C1=CC=C(C=C1)OC(C(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N)C(=O)O

Isomeric SMILES

CN.C1=CC=C(C=C1)OC(C(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C18H14N2O5.CH5N/c19-17(20)10-6-7-13-11(8-10)9-14(25-13)15(21)16(18(22)23)24-12-4-2-1-3-5-12;1-2/h1-9,16H,(H3,19,20)(H,22,23);2H2,1H3