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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(4-oxidanyl-3-phenylmethoxy-phenyl)-N-(phenylmethyl)ethanamide hydrochloride Openeye Name: N-benzyl-2-(3-benzyloxy-4-hydroxy-phenyl)-2-(4-carbamimidoylanilino)acetamide hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-(4-hydroxy-3-phenylmethoxyphenyl)-N-(phenylmethyl)acetamide hydrochloride IUPAC Name: N-benzyl-2-(4-carbamimidoylanilino)-2-(4-hydroxy-3-phenylmethoxyphenyl)acetamide hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-(3-benzoxy-4-hydroxy-phenyl)-N-benzyl-acetamide hydrochloride Formula: C29H29ClN4O3 MolecularWeight: 517.01856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(C2=CC(=C(C=C2)O)OCC3=CC=CC=C3)NC4=CC=C(C=C4)C(=N)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C(C2=CC(=C(C=C2)O)OCC3=CC=CC=C3)NC4=CC=C(C=C4)C(=N)N.Cl

InChI

InChI=1S/C29H28N4O3.ClH/c30-28(31)22-11-14-24(15-12-22)33-27(29(35)32-18-20-7-3-1-4-8-20)23-13-16-25(34)26(17-23)36-19-21-9-5-2-6-10-21;/h1-17,27,33-34H,18-19H2,(H3,30,31)(H,32,35);1H