4-(6-carbamimidoyl-1-methyl-indol-2-yl)-2-phenyl-2-pyrrolidin-1-yl-butanoic acid

Systemtic Name: 4-(6-carbamimidoyl-1-methyl-indol-2-yl)-2-phenyl-2-pyrrolidin-1-yl-butanoic acid Openeye Name: 4-(6-carbamimidoyl-1-methyl-indol-2-yl)-2-phenyl-2-pyrrolidin-1-yl-butanoic acid CAS Name: 4-(6-carbamimidoyl-1-methyl-2-indolyl)-2-phenyl-2-(1-pyrrolidinyl)butanoic acid IUPAC Name: 4-(6-carbamimidoyl-1-methylindol-2-yl)-2-phenyl-2-pyrrolidin-1-ylbutanoic acid Traditional Name: 4-(6-amidino-1-methyl-indol-2-yl)-2-phenyl-2-pyrrolidino-butyric acid Formula: C24H28N4O2 MolecularWeight: 404.50472

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C3=CC=CC=C3)(C(=O)O)N4CCCC4

Isomeric SMILES

CN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C3=CC=CC=C3)(C(=O)O)N4CCCC4

InChI

InChI=1S/C24H28N4O2/c1-27-20(15-17-9-10-18(22(25)26)16-21(17)27)11-12-24(23(29)30,28-13-5-6-14-28)19-7-3-2-4-8-19/h2-4,7-10,15-16H,5-6,11-14H2,1H3,(H3,25,26)(H,29,30)