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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N)OCC4=CC=CC=C4.Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N)OCC4=CC=CC=C4.Cl

InChI

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