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

Systemtic Name: 2-(3-carbamimidoylphenoxy)ethyl 4-(1-carbamimidoylpiperidin-4-yl)oxybenzoate Openeye Name: 2-(3-carbamimidoylphenoxy)ethyl 4-[(1-carbamimidoyl-4-piperidyl)oxy]benzoate CAS Name: 4-[(1-carbamimidoyl-4-piperidinyl)oxy]benzoic acid 2-(3-carbamimidoylphenoxy)ethyl ester IUPAC Name: 2-(3-carbamimidoylphenoxy)ethyl 4-(1-carbamimidoylpiperidin-4-yl)oxybenzoate Traditional Name: 4-[(1-amidino-4-piperidyl)oxy]benzoic acid 2-(3-amidinophenoxy)ethyl ester Formula: C22H27N5O4 MolecularWeight: 425.48088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=C(C=C2)C(=O)OCCOC3=CC=CC(=C3)C(=N)N)C(=N)N

Isomeric SMILES

C1CN(CCC1OC2=CC=C(C=C2)C(=O)OCCOC3=CC=CC(=C3)C(=N)N)C(=N)N

InChI

InChI=1S/C22H27N5O4/c23-20(24)16-2-1-3-19(14-16)29-12-13-30-21(28)15-4-6-17(7-5-15)31-18-8-10-27(11-9-18)22(25)26/h1-7,14,18H,8-13H2,(H3,23,24)(H3,25,26)