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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-cyclopentyloxy-5-ethyl-phenyl)ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-(cyclopentoxy)-5-ethyl-phenyl]acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-(3-cyclopentyloxy-5-ethylphenyl)acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-(3-cyclopentyloxy-5-ethylphenyl)acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-[3-(cyclopentoxy)-5-ethyl-phenyl]acetate hydrochloride Formula: C22H27ClN3O3- MolecularWeight: 416.92108

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)OC2CCCC2)C(C(=O)[O-])NC3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

CCC1=CC(=CC(=C1)OC2CCCC2)C(C(=O)[O-])NC3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C22H27N3O3.ClH/c1-2-14-11-16(13-19(12-14)28-18-5-3-4-6-18)20(22(26)27)25-17-9-7-15(8-10-17)21(23)24;/h7-13,18,20,25H,2-6H2,1H3,(H3,23,24)(H,26,27);1H/p-1