2-[(4-carbamimidoylphenyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethanamide

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethanamide Openeye Name: 2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-carbamimidoylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide CAS Name: 2-(4-carbamimidoylanilino)-N-[2-(1H-indol-3-yl)ethyl]-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide IUPAC Name: 2-(4-carbamimidoylanilino)-N-[2-(1H-indol-3-yl)ethyl]-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide Traditional Name: 2-(4-amidinoanilino)-2-(4-benzoxy-3-methoxy-phenyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide Formula: C33H33N5O3 MolecularWeight: 547.64682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C(=O)NCCC2=CNC3=CC=CC=C32)NC4=CC=C(C=C4)C(=N)N)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(C(=O)NCCC2=CNC3=CC=CC=C32)NC4=CC=C(C=C4)C(=N)N)OCC5=CC=CC=C5

InChI

InChI=1S/C33H33N5O3/c1-40-30-19-24(13-16-29(30)41-21-22-7-3-2-4-8-22)31(38-26-14-11-23(12-15-26)32(34)35)33(39)36-18-17-25-20-37-28-10-6-5-9-27(25)28/h2-16,19-20,31,37-38H,17-18,21H2,1H3,(H3,34,35)(H,36,39)