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

Systemtic Name: methyl 1-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-5-(1-ethanimidoylpiperidin-4-yl)oxy-indole-2-carboxylate Openeye Name: methyl 1-[(E)-3-(3-carbamimidoylphenyl)allyl]-5-[(1-ethanimidoyl-4-piperidyl)oxy]indole-2-carboxylate CAS Name: 1-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-5-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-5-(1-ethanimidoylpiperidin-4-yl)oxyindole-2-carboxylate Traditional Name: 5-[(1-acetimidoyl-4-piperidyl)oxy]-1-[(E)-3-(3-amidinophenyl)allyl]indole-2-carboxylic acid methyl ester Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N5O3/c1-18(28)31-13-10-22(11-14-31)35-23-8-9-24-21(16-23)17-25(27(33)34-2)32(24)12-4-6-19-5-3-7-20(15-19)26(29)30/h3-9,15-17,22,28H,10-14H2,1-2H3,(H3,29,30)/b6-4+,28-18?