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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethyl-5-(oxolan-2-ylmethoxy)phenyl]ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-ethyl-5-(tetrahydrofuran-2-ylmethoxy)phenyl]acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethyl-5-(2-oxolanylmethoxy)phenyl]acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-ethyl-5-(oxolan-2-ylmethoxy)phenyl]acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-[3-ethyl-5-(tetrahydrofurfuryloxy)phenyl]acetate hydrochloride Formula: C22H27ClN3O4- MolecularWeight: 432.92048

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)OCC2CCCO2)C(C(=O)[O-])NC3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

CCC1=CC(=CC(=C1)OCC2CCCO2)C(C(=O)[O-])NC3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C22H27N3O4.ClH/c1-2-14-10-16(12-19(11-14)29-13-18-4-3-9-28-18)20(22(26)27)25-17-7-5-15(6-8-17)21(23)24;/h5-8,10-12,18,20,25H,2-4,9,13H2,1H3,(H3,23,24)(H,26,27);1H/p-1