[(4-carbamimidoylphenyl)amino] 2-(3-ethyl-5-piperidin-4-yloxy-phenyl)ethanoate hydrochloride

Systemtic Name: [(4-carbamimidoylphenyl)amino] 2-(3-ethyl-5-piperidin-4-yloxy-phenyl)ethanoate hydrochloride Openeye Name: (4-carbamimidoylanilino) 2-[3-ethyl-5-(4-piperidyloxy)phenyl]acetate hydrochloride CAS Name: 2-[3-ethyl-5-(4-piperidinyloxy)phenyl]acetic acid (4-carbamimidoylanilino) ester hydrochloride IUPAC Name: (4-carbamimidoylanilino) 2-(3-ethyl-5-piperidin-4-yloxyphenyl)acetate hydrochloride Traditional Name: 2-[3-ethyl-5-(4-piperidyloxy)phenyl]acetic acid (4-amidinoanilino) ester hydrochloride Formula: C22H29ClN4O3 MolecularWeight: 432.94366

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)CC(=O)ONC2=CC=C(C=C2)C(=N)N)OC3CCNCC3.Cl

Isomeric SMILES

CCC1=CC(=CC(=C1)CC(=O)ONC2=CC=C(C=C2)C(=N)N)OC3CCNCC3.Cl

InChI

InChI=1S/C22H28N4O3.ClH/c1-2-15-11-16(13-20(12-15)28-19-7-9-25-10-8-19)14-21(27)29-26-18-5-3-17(4-6-18)22(23)24;/h3-6,11-13,19,25-26H,2,7-10,14H2,1H3,(H3,23,24);1H