2-[[2-methyl-4-[3-[3-methyl-4-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl]pentan-3-yl]phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[2-methyl-4-[3-[3-methyl-4-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl]pentan-3-yl]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[1-ethyl-1-[4-[2-(1-hydroxycyclohexyl)ethynyl]-3-methyl-phenyl]propyl]-2-methyl-benzoyl]amino]acetic acid CAS Name: 2-[[[4-[3-[4-[2-(1-hydroxycyclohexyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[3-[4-[2-(1-hydroxycyclohexyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid Traditional Name: 2-[[4-[1-ethyl-1-[4-[2-(1-hydroxycyclohexyl)ethynyl]-3-methyl-phenyl]propyl]-2-methyl-benzoyl]amino]acetic acid Formula: C30H37NO4 MolecularWeight: 475.61908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C(C=C1)C#CC2(CCCCC2)O)C)C3=CC(=C(C=C3)C(=O)NCC(=O)O)C

Isomeric SMILES

CCC(CC)(C1=CC(=C(C=C1)C#CC2(CCCCC2)O)C)C3=CC(=C(C=C3)C(=O)NCC(=O)O)C

InChI

InChI=1S/C30H37NO4/c1-5-30(6-2,25-12-13-26(22(4)19-25)28(34)31-20-27(32)33)24-11-10-23(21(3)18-24)14-17-29(35)15-8-7-9-16-29/h10-13,18-19,35H,5-9,15-16,20H2,1-4H3,(H,31,34)(H,32,33)