ethyl 3-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-(4-piperidin-4-yloxyphenyl)propanoate dihydrochloride

Systemtic Name: ethyl 3-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-(4-piperidin-4-yloxyphenyl)propanoate dihydrochloride Openeye Name: ethyl 3-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-[4-(4-piperidyloxy)phenyl]propanoate dihydrochloride CAS Name: 3-(6-carbamimidoyl-1-ethyl-2-indolyl)-2-[4-(4-piperidinyloxy)phenyl]propanoic acid ethyl ester dihydrochloride IUPAC Name: ethyl 3-(6-carbamimidoyl-1-ethylindol-2-yl)-2-(4-piperidin-4-yloxyphenyl)propanoate dihydrochloride Traditional Name: 3-(6-amidino-1-ethyl-indol-2-yl)-2-[4-(4-piperidyloxy)phenyl]propionic acid ethyl ester dihydrochloride Formula: C27H36Cl2N4O3 MolecularWeight: 535.50574

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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)OC4CCNCC4)C(=O)OCC.Cl.Cl

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CC(C3=CC=C(C=C3)OC4CCNCC4)C(=O)OCC.Cl.Cl

InChI

InChI=1S/C27H34N4O3.2ClH/c1-3-31-21(15-19-5-6-20(26(28)29)16-25(19)31)17-24(27(32)33-4-2)18-7-9-22(10-8-18)34-23-11-13-30-14-12-23;;/h5-10,15-16,23-24,30H,3-4,11-14,17H2,1-2H3,(H3,28,29);2*1H