4-[2-[ethanoyl-[[3-oxidanyl-4-[4-(2-phenylethynyl)phenyl]butyl]amino]amino]ethyl]benzoic acid

Systemtic Name: 4-[2-[ethanoyl-[[3-oxidanyl-4-[4-(2-phenylethynyl)phenyl]butyl]amino]amino]ethyl]benzoic acid Openeye Name: 4-[2-[acetyl-[[3-hydroxy-4-[4-(2-phenylethynyl)phenyl]butyl]amino]amino]ethyl]benzoic acid CAS Name: 4-[2-[acetyl-[[3-hydroxy-4-[4-(2-phenylethynyl)phenyl]butyl]amino]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[acetyl-[[3-hydroxy-4-[4-(2-phenylethynyl)phenyl]butyl]amino]amino]ethyl]benzoic acid Traditional Name: 4-[2-[acetyl-[[3-hydroxy-4-[4-(2-phenylethynyl)phenyl]butyl]amino]amino]ethyl]benzoic acid Formula: C29H30N2O4 MolecularWeight: 470.5595

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCC1=CC=C(C=C1)C(=O)O)NCCC(CC2=CC=C(C=C2)C#CC3=CC=CC=C3)O

Isomeric SMILES

CC(=O)N(CCC1=CC=C(C=C1)C(=O)O)NCCC(CC2=CC=C(C=C2)C#CC3=CC=CC=C3)O

InChI

InChI=1S/C29H30N2O4/c1-22(32)31(20-18-25-13-15-27(16-14-25)29(34)35)30-19-17-28(33)21-26-11-9-24(10-12-26)8-7-23-5-3-2-4-6-23/h2-6,9-16,28,30,33H,17-21H2,1H3,(H,34,35)