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

Systemtic Name: 3-(5-carbamimidoyl-1-methyl-indol-2-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoic acid Openeye Name: 3-(5-carbamimidoyl-1-methyl-indol-2-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoic acid CAS Name: 3-(5-carbamimidoyl-1-methyl-2-indolyl)-2-[4-(3-pyrrolidinyloxy)phenyl]propanoic acid IUPAC Name: 3-(5-carbamimidoyl-1-methylindol-2-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoic acid Traditional Name: 3-(5-amidino-1-methyl-indol-2-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propionic acid Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=N)N)C=C1CC(C3=CC=C(C=C3)OC4CCNC4)C(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=N)N)C=C1CC(C3=CC=C(C=C3)OC4CCNC4)C(=O)O

InChI

InChI=1S/C23H26N4O3/c1-27-17(11-16-10-15(22(24)25)4-7-21(16)27)12-20(23(28)29)14-2-5-18(6-3-14)30-19-8-9-26-13-19/h2-7,10-11,19-20,26H,8-9,12-13H2,1H3,(H3,24,25)(H,28,29)