2-[[4-[3-[4-(3-ethyl-3-oxidanyl-pent-1-ynyl)-3-methyl-phenyl]pentan-3-yl]-2-methyl-phenyl]carbonylamino]propanoic acid

Systemtic Name: 2-[[4-[3-[4-(3-ethyl-3-oxidanyl-pent-1-ynyl)-3-methyl-phenyl]pentan-3-yl]-2-methyl-phenyl]carbonylamino]propanoic acid Openeye Name: 2-[[4-[1-ethyl-1-[4-(3-ethyl-3-hydroxy-pent-1-ynyl)-3-methyl-phenyl]propyl]-2-methyl-benzoyl]amino]propanoic acid CAS Name: 2-[[[4-[3-[4-(3-ethyl-3-hydroxypent-1-ynyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[4-[3-[4-(3-ethyl-3-hydroxypent-1-ynyl)-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]propanoic acid Traditional Name: 2-[[4-[1-ethyl-1-[4-(3-ethyl-3-hydroxy-pent-1-ynyl)-3-methyl-phenyl]propyl]-2-methyl-benzoyl]amino]propionic acid Formula: C30H39NO4 MolecularWeight: 477.63496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#CC1=C(C=C(C=C1)C(CC)(CC)C2=CC(=C(C=C2)C(=O)NC(C)C(=O)O)C)C)O

Isomeric SMILES

CCC(CC)(C#CC1=C(C=C(C=C1)C(CC)(CC)C2=CC(=C(C=C2)C(=O)NC(C)C(=O)O)C)C)O

InChI

InChI=1S/C30H39NO4/c1-8-29(35,9-2)17-16-23-12-13-24(18-20(23)5)30(10-3,11-4)25-14-15-26(21(6)19-25)27(32)31-22(7)28(33)34/h12-15,18-19,22,35H,8-11H2,1-7H3,(H,31,32)(H,33,34)