3-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-(1-ethanimidoylpiperidin-4-yl)oxy-2-phenyl-propanoic acid

Systemtic Name: 3-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-(1-ethanimidoylpiperidin-4-yl)oxy-2-phenyl-propanoic acid Openeye Name: 3-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-[(1-ethanimidoyl-4-piperidyl)oxy]-2-phenyl-propanoic acid CAS Name: 3-(6-carbamimidoyl-1-ethyl-2-indolyl)-2-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2-phenylpropanoic acid IUPAC Name: 3-(6-carbamimidoyl-1-ethylindol-2-yl)-2-(1-ethanimidoylpiperidin-4-yl)oxy-2-phenylpropanoic acid Traditional Name: 2-[(1-acetimidoyl-4-piperidyl)oxy]-3-(6-amidino-1-ethyl-indol-2-yl)-2-phenyl-propionic acid Formula: C27H33N5O3 MolecularWeight: 475.58262

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CC(C3=CC=CC=C3)(C(=O)O)OC4CCN(CC4)C(=N)C

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CC(C3=CC=CC=C3)(C(=O)O)OC4CCN(CC4)C(=N)C

InChI

InChI=1S/C27H33N5O3/c1-3-32-22(15-19-9-10-20(25(29)30)16-24(19)32)17-27(26(33)34,21-7-5-4-6-8-21)35-23-11-13-31(14-12-23)18(2)28/h4-10,15-16,23,28H,3,11-14,17H2,1-2H3,(H3,29,30)(H,33,34)