ethyl 3-(5-carbamimidoyl-1-benzofuran-2-yl)-2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]propanoate dihydrochloride

Systemtic Name: ethyl 3-(5-carbamimidoyl-1-benzofuran-2-yl)-2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]propanoate dihydrochloride Openeye Name: ethyl 3-(5-carbamimidoylbenzofuran-2-yl)-2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]propanoate dihydrochloride CAS Name: 3-(5-carbamimidoyl-2-benzofuranyl)-2-[4-[(1-methyl-3-pyrrolidinyl)oxy]phenyl]propanoic acid ethyl ester dihydrochloride IUPAC Name: ethyl 3-(5-carbamimidoyl-1-benzofuran-2-yl)-2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]propanoate dihydrochloride Traditional Name: 3-(5-amidinobenzofuran-2-yl)-2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]propionic acid ethyl ester dihydrochloride Formula: C25H31Cl2N3O4 MolecularWeight: 508.43734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC2=C(O1)C=CC(=C2)C(=N)N)C3=CC=C(C=C3)OC4CCN(C4)C.Cl.Cl

Isomeric SMILES

CCOC(=O)C(CC1=CC2=C(O1)C=CC(=C2)C(=N)N)C3=CC=C(C=C3)OC4CCN(C4)C.Cl.Cl

InChI

InChI=1S/C25H29N3O4.2ClH/c1-3-30-25(29)22(14-21-13-18-12-17(24(26)27)6-9-23(18)32-21)16-4-7-19(8-5-16)31-20-10-11-28(2)15-20;;/h4-9,12-13,20,22H,3,10-11,14-15H2,1-2H3,(H3,26,27);2*1H