2-(3-carbamimidoylphenoxy)ethyl 4-(1-ethanimidoylpiperidin-4-yl)oxybenzoate

Systemtic Name: 2-(3-carbamimidoylphenoxy)ethyl 4-(1-ethanimidoylpiperidin-4-yl)oxybenzoate Openeye Name: 2-(3-carbamimidoylphenoxy)ethyl 4-[(1-ethanimidoyl-4-piperidyl)oxy]benzoate CAS Name: 4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]benzoic acid 2-(3-carbamimidoylphenoxy)ethyl ester IUPAC Name: 2-(3-carbamimidoylphenoxy)ethyl 4-(1-ethanimidoylpiperidin-4-yl)oxybenzoate Traditional Name: 4-[(1-acetimidoyl-4-piperidyl)oxy]benzoic acid 2-(3-amidinophenoxy)ethyl ester Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O4/c1-16(24)27-11-9-20(10-12-27)31-19-7-5-17(6-8-19)23(28)30-14-13-29-21-4-2-3-18(15-21)22(25)26/h2-8,15,20,24H,9-14H2,1H3,(H3,25,26)