(1E)-1-(2-cycloheptyl-2-oxidanylidene-ethylidene)-3,3,6-trimethyl-2,4-dihydroisoquinoline-7-carboxylic acid

Systemtic Name: (1E)-1-(2-cycloheptyl-2-oxidanylidene-ethylidene)-3,3,6-trimethyl-2,4-dihydroisoquinoline-7-carboxylic acid Openeye Name: (1E)-1-(2-cycloheptyl-2-oxo-ethylidene)-3,3,6-trimethyl-2,4-dihydroisoquinoline-7-carboxylic acid CAS Name: (1E)-1-(2-cycloheptyl-2-oxoethylidene)-3,3,6-trimethyl-2,4-dihydroisoquinoline-7-carboxylic acid IUPAC Name: (1E)-1-(2-cycloheptyl-2-oxoethylidene)-3,3,6-trimethyl-2,4-dihydroisoquinoline-7-carboxylic acid Traditional Name: (1E)-1-(2-cycloheptyl-2-keto-ethylidene)-3,3,6-trimethyl-2,4-dihydroisoquinoline-7-carboxylic acid Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CC(NC2=CC(=O)C3CCCCCC3)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C\2C(=C1)CC(N/C2=C/C(=O)C3CCCCCC3)(C)C)C(=O)O

InChI

InChI=1S/C22H29NO3/c1-14-10-16-13-22(2,3)23-19(18(16)11-17(14)21(25)26)12-20(24)15-8-6-4-5-7-9-15/h10-12,15,23H,4-9,13H2,1-3H3,(H,25,26)/b19-12+