3-(6-carbamimidoyl-1-benzofuran-2-yl)-2-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]propanoic acid

Systemtic Name: 3-(6-carbamimidoyl-1-benzofuran-2-yl)-2-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]propanoic acid Openeye Name: 3-(6-carbamimidoylbenzofuran-2-yl)-2-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]propanoic acid CAS Name: 3-(6-carbamimidoyl-2-benzofuranyl)-2-[4-[[(3S)-3-pyrrolidinyl]oxy]phenyl]propanoic acid IUPAC Name: 3-(6-carbamimidoyl-1-benzofuran-2-yl)-2-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]propanoic acid Traditional Name: 3-(6-amidinobenzofuran-2-yl)-2-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]propionic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1OC2=CC=C(C=C2)C(CC3=CC4=C(O3)C=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1CNC[C@H]1OC2=CC=C(C=C2)C(CC3=CC4=C(O3)C=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C22H23N3O4/c23-21(24)15-2-1-14-9-18(29-20(14)10-15)11-19(22(26)27)13-3-5-16(6-4-13)28-17-7-8-25-12-17/h1-6,9-10,17,19,25H,7-8,11-12H2,(H3,23,24)(H,26,27)/t17-,19?/m0/s1