2-[(4-carbamimidoylphenyl)amino]-2-(3-ethoxy-5-phenylmethoxy-phenyl)-N-(phenylmethyl)ethanamide hydrochloride

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-ethoxy-5-phenylmethoxy-phenyl)-N-(phenylmethyl)ethanamide hydrochloride Openeye Name: N-benzyl-2-(3-benzyloxy-5-ethoxy-phenyl)-2-(4-carbamimidoylanilino)acetamide hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-(3-ethoxy-5-phenylmethoxyphenyl)-N-(phenylmethyl)acetamide hydrochloride IUPAC Name: N-benzyl-2-(4-carbamimidoylanilino)-2-(3-ethoxy-5-phenylmethoxyphenyl)acetamide hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-(3-benzoxy-5-ethoxy-phenyl)-N-benzyl-acetamide hydrochloride Formula: C31H33ClN4O3 MolecularWeight: 545.07172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)OCC2=CC=CC=C2)C(C(=O)NCC3=CC=CC=C3)NC4=CC=C(C=C4)C(=N)N.Cl

Isomeric SMILES

CCOC1=CC(=CC(=C1)OCC2=CC=CC=C2)C(C(=O)NCC3=CC=CC=C3)NC4=CC=C(C=C4)C(=N)N.Cl

InChI

InChI=1S/C31H32N4O3.ClH/c1-2-37-27-17-25(18-28(19-27)38-21-23-11-7-4-8-12-23)29(31(36)34-20-22-9-5-3-6-10-22)35-26-15-13-24(14-16-26)30(32)33;/h3-19,29,35H,2,20-21H2,1H3,(H3,32,33)(H,34,36);1H