3-(5-carbamimidoyl-1-ethyl-indol-2-yl)-2-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]propanoic acid

Systemtic Name: 3-(5-carbamimidoyl-1-ethyl-indol-2-yl)-2-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]propanoic acid Openeye Name: 3-(5-carbamimidoyl-1-ethyl-indol-2-yl)-2-[4-[(1-ethanimidoyl-4-piperidyl)oxy]phenyl]propanoic acid CAS Name: 3-(5-carbamimidoyl-1-ethyl-2-indolyl)-2-[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]propanoic acid IUPAC Name: 3-(5-carbamimidoyl-1-ethylindol-2-yl)-2-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]propanoic acid Traditional Name: 2-[4-[(1-acetimidoyl-4-piperidyl)oxy]phenyl]-3-(5-amidino-1-ethyl-indol-2-yl)propionic acid Formula: C27H33N5O3 MolecularWeight: 475.58262

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=N)N)C=C1CC(C3=CC=C(C=C3)OC4CCN(CC4)C(=N)C)C(=O)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=N)N)C=C1CC(C3=CC=C(C=C3)OC4CCN(CC4)C(=N)C)C(=O)O

InChI

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