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

Systemtic Name: ethyl 3-(5-carbamimidoyl-1-benzofuran-2-yl)-2-[4-[5-(dimethylcarbamoyl)pyrrolidin-3-yl]oxyphenyl]propanoate Openeye Name: ethyl 3-(5-carbamimidoylbenzofuran-2-yl)-2-[4-[5-(dimethylcarbamoyl)pyrrolidin-3-yl]oxyphenyl]propanoate CAS Name: 3-(5-carbamimidoyl-2-benzofuranyl)-2-[4-[[5-[dimethylamino(oxo)methyl]-3-pyrrolidinyl]oxy]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-(5-carbamimidoyl-1-benzofuran-2-yl)-2-[4-[5-(dimethylcarbamoyl)pyrrolidin-3-yl]oxyphenyl]propanoate Traditional Name: 3-(5-amidinobenzofuran-2-yl)-2-[4-[5-(dimethylcarbamoyl)pyrrolidin-3-yl]oxyphenyl]propionic acid ethyl ester Formula: C27H32N4O5 MolecularWeight: 492.56678

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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)OC4CC(NC4)C(=O)N(C)C

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(C)C

InChI

InChI=1S/C27H32N4O5/c1-4-34-27(33)22(13-20-12-18-11-17(25(28)29)7-10-24(18)36-20)16-5-8-19(9-6-16)35-21-14-23(30-15-21)26(32)31(2)3/h5-12,21-23,30H,4,13-15H2,1-3H3,(H3,28,29)