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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[5-ethyl-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)-3-propyl-phenyl]ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-[5-ethyl-2-(2-oxo-2-pyrrolidin-1-yl-ethoxy)-3-propyl-phenyl]acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-[5-ethyl-2-[2-oxo-2-(1-pyrrolidinyl)ethoxy]-3-propylphenyl]acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-[5-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethoxy)-3-propylphenyl]acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-[5-ethyl-2-(2-keto-2-pyrrolidino-ethoxy)-3-propyl-phenyl]acetate hydrochloride Formula: C26H34ClN4O4- MolecularWeight: 502.02556

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)CC)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)OCC(=O)N3CCCC3.Cl

Isomeric SMILES

CCCC1=C(C(=CC(=C1)CC)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)OCC(=O)N3CCCC3.Cl

InChI

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