3-(5-carbamimidoyl-3-methyl-1-benzofuran-2-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoic acid

Systemtic Name: 3-(5-carbamimidoyl-3-methyl-1-benzofuran-2-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoic acid Openeye Name: 3-(5-carbamimidoyl-3-methyl-benzofuran-2-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoic acid CAS Name: 3-(5-carbamimidoyl-3-methyl-2-benzofuranyl)-2-[4-(3-pyrrolidinyloxy)phenyl]propanoic acid IUPAC Name: 3-(5-carbamimidoyl-3-methyl-1-benzofuran-2-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoic acid Traditional Name: 3-(5-amidino-3-methyl-benzofuran-2-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propionic acid Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)C(=N)N)CC(C3=CC=C(C=C3)OC4CCNC4)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)C(=N)N)CC(C3=CC=C(C=C3)OC4CCNC4)C(=O)O

InChI

InChI=1S/C23H25N3O4/c1-13-18-10-15(22(24)25)4-7-20(18)30-21(13)11-19(23(27)28)14-2-5-16(6-3-14)29-17-8-9-26-12-17/h2-7,10,17,19,26H,8-9,11-12H2,1H3,(H3,24,25)(H,27,28)