2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(2-methylpropoxy)phenyl]ethanoate hydrochloride

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(2-methylpropoxy)phenyl]ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-(3-ethoxy-5-isobutoxy-phenyl)acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(2-methylpropoxy)phenyl]acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(2-methylpropoxy)phenyl]acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-(3-ethoxy-5-isobutoxy-phenyl)acetate hydrochloride Formula: C21H27ClN3O4- MolecularWeight: 420.90978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)OCC(C)C.Cl

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)OCC(C)C.Cl

InChI

InChI=1S/C21H27N3O4.ClH/c1-4-27-17-9-15(10-18(11-17)28-12-13(2)3)19(21(25)26)24-16-7-5-14(6-8-16)20(22)23;/h5-11,13,19,24H,4,12H2,1-3H3,(H3,22,23)(H,25,26);1H/p-1