2-[5-carbamimidoyl-2-(cyanomethoxy)phenoxy]ethyl 4-(1-ethanimidoylpiperidin-4-yl)oxybenzoate

Systemtic Name: 2-[5-carbamimidoyl-2-(cyanomethoxy)phenoxy]ethyl 4-(1-ethanimidoylpiperidin-4-yl)oxybenzoate Openeye Name: 2-[5-carbamimidoyl-2-(cyanomethoxy)phenoxy]ethyl 4-[(1-ethanimidoyl-4-piperidyl)oxy]benzoate CAS Name: 4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]benzoic acid 2-[5-carbamimidoyl-2-(cyanomethoxy)phenoxy]ethyl ester IUPAC Name: 2-[5-carbamimidoyl-2-(cyanomethoxy)phenoxy]ethyl 4-(1-ethanimidoylpiperidin-4-yl)oxybenzoate Traditional Name: 4-[(1-acetimidoyl-4-piperidyl)oxy]benzoic acid 2-[5-amidino-2-(cyanomethoxy)phenoxy]ethyl ester Formula: C25H29N5O5 MolecularWeight: 479.52826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)C(=O)OCCOC3=C(C=CC(=C3)C(=N)N)OCC#N

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)C(=O)OCCOC3=C(C=CC(=C3)C(=N)N)OCC#N

InChI

InChI=1S/C25H29N5O5/c1-17(27)30-11-8-21(9-12-30)35-20-5-2-18(3-6-20)25(31)34-15-14-33-23-16-19(24(28)29)4-7-22(23)32-13-10-26/h2-7,16,21,27H,8-9,11-15H2,1H3,(H3,28,29)