ethyl 2-[2-(5-carbamimidoyl-1-benzofuran-2-yl)ethyl]-5-pyrrolidin-3-yloxy-benzoate dihydrochloride

Systemtic Name: ethyl 2-[2-(5-carbamimidoyl-1-benzofuran-2-yl)ethyl]-5-pyrrolidin-3-yloxy-benzoate dihydrochloride Openeye Name: ethyl 2-[2-(5-carbamimidoylbenzofuran-2-yl)ethyl]-5-pyrrolidin-3-yloxy-benzoate dihydrochloride CAS Name: 2-[2-(5-carbamimidoyl-2-benzofuranyl)ethyl]-5-(3-pyrrolidinyloxy)benzoic acid ethyl ester dihydrochloride IUPAC Name: ethyl 2-[2-(5-carbamimidoyl-1-benzofuran-2-yl)ethyl]-5-pyrrolidin-3-yloxybenzoate dihydrochloride Traditional Name: 2-[2-(5-amidinobenzofuran-2-yl)ethyl]-5-pyrrolidin-3-yloxy-benzoic acid ethyl ester dihydrochloride Formula: C24H29Cl2N3O4 MolecularWeight: 494.41076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)OC2CCNC2)CCC3=CC4=C(O3)C=CC(=C4)C(=N)N.Cl.Cl

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)OC2CCNC2)CCC3=CC4=C(O3)C=CC(=C4)C(=N)N.Cl.Cl

InChI

InChI=1S/C24H27N3O4.2ClH/c1-2-29-24(28)21-13-19(30-20-9-10-27-14-20)7-4-15(21)3-6-18-12-17-11-16(23(25)26)5-8-22(17)31-18;;/h4-5,7-8,11-13,20,27H,2-3,6,9-10,14H2,1H3,(H3,25,26);2*1H