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

Systemtic Name: N-[2-(4-aminophenyl)ethyl]-2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethanamide Openeye Name: N-[2-(4-aminophenyl)ethyl]-2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-carbamimidoylanilino)acetamide CAS Name: N-[2-(4-aminophenyl)ethyl]-2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide IUPAC Name: N-[2-(4-aminophenyl)ethyl]-2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide Traditional Name: 2-(4-amidinoanilino)-N-[2-(4-aminophenyl)ethyl]-2-(4-benzoxy-3-methoxy-phenyl)acetamide Formula: C31H33N5O3 MolecularWeight: 523.62542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C(=O)NCCC2=CC=C(C=C2)N)NC3=CC=C(C=C3)C(=N)N)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(C(=O)NCCC2=CC=C(C=C2)N)NC3=CC=C(C=C3)C(=N)N)OCC4=CC=CC=C4

InChI

InChI=1S/C31H33N5O3/c1-38-28-19-24(11-16-27(28)39-20-22-5-3-2-4-6-22)29(36-26-14-9-23(10-15-26)30(33)34)31(37)35-18-17-21-7-12-25(32)13-8-21/h2-16,19,29,36H,17-18,20,32H2,1H3,(H3,33,34)(H,35,37)