4-ethynyl-N-[5-[3-[(4-ethynylphenyl)carbonylamino]-4-oxidanyl-phenoxy]-2-oxidanyl-phenyl]benzamide

Systemtic Name: 4-ethynyl-N-[5-[3-[(4-ethynylphenyl)carbonylamino]-4-oxidanyl-phenoxy]-2-oxidanyl-phenyl]benzamide Openeye Name: 4-ethynyl-N-[5-[3-[(4-ethynylbenzoyl)amino]-4-hydroxy-phenoxy]-2-hydroxy-phenyl]benzamide CAS Name: 4-ethynyl-N-[5-[3-[[(4-ethynylphenyl)-oxomethyl]amino]-4-hydroxyphenoxy]-2-hydroxyphenyl]benzamide IUPAC Name: 4-ethynyl-N-[5-[3-[(4-ethynylbenzoyl)amino]-4-hydroxyphenoxy]-2-hydroxyphenyl]benzamide Traditional Name: 4-ethynyl-N-[5-[3-[(4-ethynylbenzoyl)amino]-4-hydroxy-phenoxy]-2-hydroxy-phenyl]benzamide Formula: C30H20N2O5 MolecularWeight: 488.4902

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)OC3=CC(=C(C=C3)O)NC(=O)C4=CC=C(C=C4)C#C)O

Isomeric SMILES

C#CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)OC3=CC(=C(C=C3)O)NC(=O)C4=CC=C(C=C4)C#C)O

InChI

InChI=1S/C30H20N2O5/c1-3-19-5-9-21(10-6-19)29(35)31-25-17-23(13-15-27(25)33)37-24-14-16-28(34)26(18-24)32-30(36)22-11-7-20(4-2)8-12-22/h1-2,5-18,33-34H,(H,31,35)(H,32,36)