2-[[2-methyl-4-[3-[3-methyl-4-[(E)-3,4,4-trimethyl-3-oxidanyl-pent-1-enyl]phenyl]pentan-3-yl]phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[2-methyl-4-[3-[3-methyl-4-[(E)-3,4,4-trimethyl-3-oxidanyl-pent-1-enyl]phenyl]pentan-3-yl]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[1-ethyl-1-[4-[(E)-3-hydroxy-3,4,4-trimethyl-pent-1-enyl]-3-methyl-phenyl]propyl]-2-methyl-benzoyl]amino]acetic acid CAS Name: 2-[[[4-[3-[4-[(E)-3-hydroxy-3,4,4-trimethylpent-1-enyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[3-[4-[(E)-3-hydroxy-3,4,4-trimethylpent-1-enyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid Traditional Name: 2-[[4-[1-ethyl-1-[4-[(E)-3-hydroxy-3,4,4-trimethyl-pent-1-enyl]-3-methyl-phenyl]propyl]-2-methyl-benzoyl]amino]acetic acid Formula: C30H41NO4 MolecularWeight: 479.65084

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C(C=C1)C=CC(C)(C(C)(C)C)O)C)C2=CC(=C(C=C2)C(=O)NCC(=O)O)C

Isomeric SMILES

CCC(CC)(C1=CC(=C(C=C1)/C=C/C(C)(C(C)(C)C)O)C)C2=CC(=C(C=C2)C(=O)NCC(=O)O)C

InChI

InChI=1S/C30H41NO4/c1-9-30(10-2,24-13-14-25(21(4)18-24)27(34)31-19-26(32)33)23-12-11-22(20(3)17-23)15-16-29(8,35)28(5,6)7/h11-18,35H,9-10,19H2,1-8H3,(H,31,34)(H,32,33)/b16-15+