ethyl 5-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]amino]-2-(1-ethanimidoylpiperidin-4-yl)oxy-benzoate

Systemtic Name: ethyl 5-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]amino]-2-(1-ethanimidoylpiperidin-4-yl)oxy-benzoate Openeye Name: ethyl 5-[[(E)-3-(3-carbamimidoylphenyl)allyl]amino]-2-[(1-ethanimidoyl-4-piperidyl)oxy]benzoate CAS Name: 5-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]amino]-2-[[1-(1-iminoethyl)-4-piperidinyl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 5-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]amino]-2-(1-ethanimidoylpiperidin-4-yl)oxybenzoate Traditional Name: 2-[(1-acetimidoyl-4-piperidyl)oxy]-5-[[(E)-3-(3-amidinophenyl)allyl]amino]benzoic acid ethyl ester Formula: C26H33N5O3 MolecularWeight: 463.57192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NCC=CC2=CC(=CC=C2)C(=N)N)OC3CCN(CC3)C(=N)C

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NC/C=C/C2=CC(=CC=C2)C(=N)N)OC3CCN(CC3)C(=N)C

InChI

InChI=1S/C26H33N5O3/c1-3-33-26(32)23-17-21(30-13-5-7-19-6-4-8-20(16-19)25(28)29)9-10-24(23)34-22-11-14-31(15-12-22)18(2)27/h4-10,16-17,22,27,30H,3,11-15H2,1-2H3,(H3,28,29)/b7-5+,27-18?