N-(4-carbamimidoylphenyl)-2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethanamide

Systemtic Name: N-(4-carbamimidoylphenyl)-2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethanamide Openeye Name: 2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-carbamimidoylanilino)-N-(4-carbamimidoylphenyl)acetamide CAS Name: 2-(4-carbamimidoylanilino)-N-(4-carbamimidoylphenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide IUPAC Name: 2-(4-carbamimidoylanilino)-N-(4-carbamimidoylphenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide Traditional Name: 2-(4-amidinoanilino)-N-(4-amidinophenyl)-2-(4-benzoxy-3-methoxy-phenyl)acetamide Formula: C30H30N6O3 MolecularWeight: 522.5976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C(=O)NC2=CC=C(C=C2)C(=N)N)NC3=CC=C(C=C3)C(=N)N)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(C(=O)NC2=CC=C(C=C2)C(=N)N)NC3=CC=C(C=C3)C(=N)N)OCC4=CC=CC=C4

InChI

InChI=1S/C30H30N6O3/c1-38-26-17-22(11-16-25(26)39-18-19-5-3-2-4-6-19)27(35-23-12-7-20(8-13-23)28(31)32)30(37)36-24-14-9-21(10-15-24)29(33)34/h2-17,27,35H,18H2,1H3,(H3,31,32)(H3,33,34)(H,36,37)