ethyl 4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]carbonylamino]ethoxy]benzoate

Systemtic Name: ethyl 4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]carbonylamino]ethoxy]benzoate Openeye Name: ethyl 4-carbamimidoyl-2-[2-[[4-[(1-ethanimidoyl-4-piperidyl)oxy]benzoyl]amino]ethoxy]benzoate CAS Name: 4-carbamimidoyl-2-[2-[[[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]-oxomethyl]amino]ethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]benzoate Traditional Name: 2-[2-[[4-[(1-acetimidoyl-4-piperidyl)oxy]benzoyl]amino]ethoxy]-4-amidino-benzoic acid ethyl ester Formula: C26H33N5O5 MolecularWeight: 495.57072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N5O5/c1-3-34-26(33)22-9-6-19(24(28)29)16-23(22)35-15-12-30-25(32)18-4-7-20(8-5-18)36-21-10-13-31(14-11-21)17(2)27/h4-9,16,21,27H,3,10-15H2,1-2H3,(H3,28,29)(H,30,32)