3-(6-carbamimidoyl-1H-indol-2-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoate dihydrochloride

Systemtic Name: 3-(6-carbamimidoyl-1H-indol-2-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoate dihydrochloride Openeye Name: 3-(6-carbamimidoyl-1H-indol-2-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoate dihydrochloride CAS Name: 3-(6-carbamimidoyl-1H-indol-2-yl)-2-[4-(3-pyrrolidinyloxy)phenyl]propanoate dihydrochloride IUPAC Name: 3-(6-carbamimidoyl-1H-indol-2-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoate dihydrochloride Traditional Name: 3-(6-amidino-1H-indol-2-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propionate dihydrochloride Formula: C22H25Cl2N4O3- MolecularWeight: 464.3649

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1OC2=CC=C(C=C2)C(CC3=CC4=C(N3)C=C(C=C4)C(=N)N)C(=O)[O-].Cl.Cl

Isomeric SMILES

C1CNCC1OC2=CC=C(C=C2)C(CC3=CC4=C(N3)C=C(C=C4)C(=N)N)C(=O)[O-].Cl.Cl

InChI

InChI=1S/C22H24N4O3.2ClH/c23-21(24)15-2-1-14-9-16(26-20(14)10-15)11-19(22(27)28)13-3-5-17(6-4-13)29-18-7-8-25-12-18;;/h1-6,9-10,18-19,25-26H,7-8,11-12H2,(H3,23,24)(H,27,28);2*1H/p-1