1-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-5-(1-ethanimidoylpiperidin-4-yl)oxy-indole-2-carboxylic acid

Systemtic Name: 1-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-5-(1-ethanimidoylpiperidin-4-yl)oxy-indole-2-carboxylic acid Openeye Name: 1-[(E)-3-(3-carbamimidoylphenyl)allyl]-5-[(1-ethanimidoyl-4-piperidyl)oxy]indole-2-carboxylic acid CAS Name: 1-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-5-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2-indolecarboxylic acid IUPAC Name: 1-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-5-(1-ethanimidoylpiperidin-4-yl)oxyindole-2-carboxylic acid Traditional Name: 5-[(1-acetimidoyl-4-piperidyl)oxy]-1-[(E)-3-(3-amidinophenyl)allyl]indole-2-carboxylic acid Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)N(C(=C3)C(=O)O)CC=CC4=CC(=CC=C4)C(=N)N

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)N(C(=C3)C(=O)O)C/C=C/C4=CC(=CC=C4)C(=N)N

InChI

InChI=1S/C26H29N5O3/c1-17(27)30-12-9-21(10-13-30)34-22-7-8-23-20(15-22)16-24(26(32)33)31(23)11-3-5-18-4-2-6-19(14-18)25(28)29/h2-8,14-16,21,27H,9-13H2,1H3,(H3,28,29)(H,32,33)/b5-3+,27-17?