2-[6-carbamimidoyl-2-[3-oxidanyl-2-(4-pyrrolidin-3-yloxyphenyl)propyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[6-carbamimidoyl-2-[3-oxidanyl-2-(4-pyrrolidin-3-yloxyphenyl)propyl]indol-1-yl]ethanoic acid Openeye Name: 2-[6-carbamimidoyl-2-[3-hydroxy-2-(4-pyrrolidin-3-yloxyphenyl)propyl]indol-1-yl]acetic acid CAS Name: 2-[6-carbamimidoyl-2-[3-hydroxy-2-[4-(3-pyrrolidinyloxy)phenyl]propyl]-1-indolyl]acetic acid IUPAC Name: 2-[6-carbamimidoyl-2-[3-hydroxy-2-(4-pyrrolidin-3-yloxyphenyl)propyl]indol-1-yl]acetic acid Traditional Name: 2-[6-amidino-2-[3-hydroxy-2-(4-pyrrolidin-3-yloxyphenyl)propyl]indol-1-yl]acetic acid Formula: C24H28N4O4 MolecularWeight: 436.50352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1OC2=CC=C(C=C2)C(CC3=CC4=C(N3CC(=O)O)C=C(C=C4)C(=N)N)CO

Isomeric SMILES

C1CNCC1OC2=CC=C(C=C2)C(CC3=CC4=C(N3CC(=O)O)C=C(C=C4)C(=N)N)CO

InChI

InChI=1S/C24H28N4O4/c25-24(26)17-2-1-16-9-19(28(13-23(30)31)22(16)11-17)10-18(14-29)15-3-5-20(6-4-15)32-21-7-8-27-12-21/h1-6,9,11,18,21,27,29H,7-8,10,12-14H2,(H3,25,26)(H,30,31)