ethyl 5-carbamimidoyl-2-[2-(4-pyrrolidin-3-yloxyphenyl)ethyl]-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-carbamimidoyl-2-[2-(4-pyrrolidin-3-yloxyphenyl)ethyl]-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-carbamimidoyl-2-[2-(4-pyrrolidin-3-yloxyphenyl)ethyl]benzofuran-3-carboxylate CAS Name: 5-carbamimidoyl-2-[2-[4-(3-pyrrolidinyloxy)phenyl]ethyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamimidoyl-2-[2-(4-pyrrolidin-3-yloxyphenyl)ethyl]-1-benzofuran-3-carboxylate Traditional Name: 5-amidino-2-[2-(4-pyrrolidin-3-yloxyphenyl)ethyl]benzofuran-3-carboxylic acid ethyl ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)C(=N)N)CCC3=CC=C(C=C3)OC4CCNC4

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)C(=N)N)CCC3=CC=C(C=C3)OC4CCNC4

InChI

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