3-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoic acid

Systemtic Name: 3-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoic acid Openeye Name: 3-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoic acid CAS Name: 3-(6-carbamimidoyl-1-ethyl-2-indolyl)-2-[4-(3-pyrrolidinyloxy)phenyl]propanoic acid IUPAC Name: 3-(6-carbamimidoyl-1-ethylindol-2-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoic acid Traditional Name: 3-(6-amidino-1-ethyl-indol-2-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propionic acid Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CC(C3=CC=C(C=C3)OC4CCNC4)C(=O)O

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CC(C3=CC=C(C=C3)OC4CCNC4)C(=O)O

InChI

InChI=1S/C24H28N4O3/c1-2-28-18(11-16-3-4-17(23(25)26)12-22(16)28)13-21(24(29)30)15-5-7-19(8-6-15)31-20-9-10-27-14-20/h3-8,11-12,20-21,27H,2,9-10,13-14H2,1H3,(H3,25,26)(H,29,30)