[(4-carbamimidoylphenyl)amino] 2-[5-ethyl-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)-3-propyl-phenyl]ethanoate hydrochloride

Systemtic Name: [(4-carbamimidoylphenyl)amino] 2-[5-ethyl-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)-3-propyl-phenyl]ethanoate hydrochloride Openeye Name: (4-carbamimidoylanilino) 2-[5-ethyl-2-(2-oxo-2-pyrrolidin-1-yl-ethoxy)-3-propyl-phenyl]acetate hydrochloride CAS Name: 2-[5-ethyl-2-[2-oxo-2-(1-pyrrolidinyl)ethoxy]-3-propylphenyl]acetic acid (4-carbamimidoylanilino) ester hydrochloride IUPAC Name: (4-carbamimidoylanilino) 2-[5-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethoxy)-3-propylphenyl]acetate hydrochloride Traditional Name: 2-[5-ethyl-2-(2-keto-2-pyrrolidino-ethoxy)-3-propyl-phenyl]acetic acid (4-amidinoanilino) ester hydrochloride Formula: C26H35ClN4O4 MolecularWeight: 503.0335

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=C1OCC(=O)N2CCCC2)CC(=O)ONC3=CC=C(C=C3)C(=N)N)CC.Cl

Isomeric SMILES

CCCC1=CC(=CC(=C1OCC(=O)N2CCCC2)CC(=O)ONC3=CC=C(C=C3)C(=N)N)CC.Cl

InChI

InChI=1S/C26H34N4O4.ClH/c1-3-7-20-14-18(4-2)15-21(25(20)33-17-23(31)30-12-5-6-13-30)16-24(32)34-29-22-10-8-19(9-11-22)26(27)28;/h8-11,14-15,29H,3-7,12-13,16-17H2,1-2H3,(H3,27,28);1H