[(4-carbamimidoylphenyl)amino] 2-[3-ethyl-5-(4-oxidanylcyclohexyl)oxy-phenyl]ethanoate hydrochloride

Systemtic Name: [(4-carbamimidoylphenyl)amino] 2-[3-ethyl-5-(4-oxidanylcyclohexyl)oxy-phenyl]ethanoate hydrochloride Openeye Name: (4-carbamimidoylanilino) 2-[3-ethyl-5-(4-hydroxycyclohexoxy)phenyl]acetate hydrochloride CAS Name: 2-[3-ethyl-5-(4-hydroxycyclohexyl)oxyphenyl]acetic acid (4-carbamimidoylanilino) ester hydrochloride IUPAC Name: (4-carbamimidoylanilino) 2-[3-ethyl-5-(4-hydroxycyclohexyl)oxyphenyl]acetate hydrochloride Traditional Name: 2-[3-ethyl-5-(4-hydroxycyclohexoxy)phenyl]acetic acid (4-amidinoanilino) ester hydrochloride Formula: C23H30ClN3O4 MolecularWeight: 447.955

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)CC(=O)ONC2=CC=C(C=C2)C(=N)N)OC3CCC(CC3)O.Cl

Isomeric SMILES

CCC1=CC(=CC(=C1)CC(=O)ONC2=CC=C(C=C2)C(=N)N)OC3CCC(CC3)O.Cl

InChI

InChI=1S/C23H29N3O4.ClH/c1-2-15-11-16(13-21(12-15)29-20-9-7-19(27)8-10-20)14-22(28)30-26-18-5-3-17(4-6-18)23(24)25;/h3-6,11-13,19-20,26-27H,2,7-10,14H2,1H3,(H3,24,25);1H