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

Systemtic Name: ethyl 2-[4-(5-aminocarbonylpyrrolidin-3-yl)oxyphenyl]-3-(5-carbamimidoyl-1-benzofuran-2-yl)propanoate Openeye Name: ethyl 3-(5-carbamimidoylbenzofuran-2-yl)-2-[4-(5-carbamoylpyrrolidin-3-yl)oxyphenyl]propanoate CAS Name: 3-(5-carbamimidoyl-2-benzofuranyl)-2-[4-[(5-carbamoyl-3-pyrrolidinyl)oxy]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-(5-carbamimidoyl-1-benzofuran-2-yl)-2-[4-(5-carbamoylpyrrolidin-3-yl)oxyphenyl]propanoate Traditional Name: 3-(5-amidinobenzofuran-2-yl)-2-[4-(5-carbamoylpyrrolidin-3-yl)oxyphenyl]propionic acid ethyl ester Formula: C25H28N4O5 MolecularWeight: 464.51362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC2=C(O1)C=CC(=C2)C(=N)N)C3=CC=C(C=C3)OC4CC(NC4)C(=O)N

Isomeric SMILES

CCOC(=O)C(CC1=CC2=C(O1)C=CC(=C2)C(=N)N)C3=CC=C(C=C3)OC4CC(NC4)C(=O)N

InChI

InChI=1S/C25H28N4O5/c1-2-32-25(31)20(11-18-10-16-9-15(23(26)27)5-8-22(16)34-18)14-3-6-17(7-4-14)33-19-12-21(24(28)30)29-13-19/h3-10,19-21,29H,2,11-13H2,1H3,(H3,26,27)(H2,28,30)