3-(1-ethyl-7,8-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-2-(2,4,6-trimethylphenyl)propanoic acid

Systemtic Name: 3-(1-ethyl-7,8-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-2-(2,4,6-trimethylphenyl)propanoic acid Openeye Name: 3-(1-ethyl-7,8-dihydro-1H-isoquinolin-2-yl)-3-oxo-2-(2,4,6-trimethylphenyl)propanoic acid CAS Name: 3-(1-ethyl-7,8-dihydro-1H-isoquinolin-2-yl)-3-oxo-2-(2,4,6-trimethylphenyl)propanoic acid IUPAC Name: 3-(1-ethyl-7,8-dihydro-1H-isoquinolin-2-yl)-3-oxo-2-(2,4,6-trimethylphenyl)propanoic acid Traditional Name: 3-(1-ethyl-7,8-dihydro-1H-isoquinolin-2-yl)-3-keto-2-mesityl-propionic acid Formula: C23H27NO3 MolecularWeight: 365.46538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=C(C=CCC2)C=CN1C(=O)C(C3=C(C=C(C=C3C)C)C)C(=O)O

Isomeric SMILES

CCC1C2=C(C=CCC2)C=CN1C(=O)C(C3=C(C=C(C=C3C)C)C)C(=O)O

InChI

InChI=1S/C23H27NO3/c1-5-19-18-9-7-6-8-17(18)10-11-24(19)22(25)21(23(26)27)20-15(3)12-14(2)13-16(20)4/h6,8,10-13,19,21H,5,7,9H2,1-4H3,(H,26,27)