ethyl 3-(5-carbamimidoyl-1-benzofuran-3-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoate dihydrochloride

Systemtic Name: ethyl 3-(5-carbamimidoyl-1-benzofuran-3-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoate dihydrochloride Openeye Name: ethyl 3-(5-carbamimidoylbenzofuran-3-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoate dihydrochloride CAS Name: 3-(5-carbamimidoyl-3-benzofuranyl)-2-[4-(3-pyrrolidinyloxy)phenyl]propanoic acid ethyl ester dihydrochloride IUPAC Name: ethyl 3-(5-carbamimidoyl-1-benzofuran-3-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoate dihydrochloride Traditional Name: 3-(5-amidinobenzofuran-3-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propionic acid ethyl ester dihydrochloride Formula: C24H29Cl2N3O4 MolecularWeight: 494.41076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=COC2=C1C=C(C=C2)C(=N)N)C3=CC=C(C=C3)OC4CCNC4.Cl.Cl

Isomeric SMILES

CCOC(=O)C(CC1=COC2=C1C=C(C=C2)C(=N)N)C3=CC=C(C=C3)OC4CCNC4.Cl.Cl

InChI

InChI=1S/C24H27N3O4.2ClH/c1-2-29-24(28)21(15-3-6-18(7-4-15)31-19-9-10-27-13-19)12-17-14-30-22-8-5-16(23(25)26)11-20(17)22;;/h3-8,11,14,19,21,27H,2,9-10,12-13H2,1H3,(H3,25,26);2*1H