2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-5-phenylmethoxy-phenyl)ethanoate hydrochloride

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-5-phenylmethoxy-phenyl)ethanoate hydrochloride Openeye Name: 2-(3-benzyloxy-5-methoxy-phenyl)-2-(4-carbamimidoylanilino)acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-(3-methoxy-5-phenylmethoxyphenyl)acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-(3-methoxy-5-phenylmethoxyphenyl)acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-(3-benzoxy-5-methoxy-phenyl)acetate hydrochloride Formula: C23H23ClN3O4- MolecularWeight: 440.89942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)OCC3=CC=CC=C3.Cl

Isomeric SMILES

COC1=CC(=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)OCC3=CC=CC=C3.Cl

InChI

InChI=1S/C23H23N3O4.ClH/c1-29-19-11-17(12-20(13-19)30-14-15-5-3-2-4-6-15)21(23(27)28)26-18-9-7-16(8-10-18)22(24)25;/h2-13,21,26H,14H2,1H3,(H3,24,25)(H,27,28);1H/p-1