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

Systemtic Name: (1E)-1-(2-cyclohexyl-2-oxidanylidene-ethylidene)-3,3,6-trimethyl-2,4-dihydroisoquinoline-7-carboxylic acid Openeye Name: (1E)-1-(2-cyclohexyl-2-oxo-ethylidene)-3,3,6-trimethyl-2,4-dihydroisoquinoline-7-carboxylic acid CAS Name: (1E)-1-(2-cyclohexyl-2-oxoethylidene)-3,3,6-trimethyl-2,4-dihydroisoquinoline-7-carboxylic acid IUPAC Name: (1E)-1-(2-cyclohexyl-2-oxoethylidene)-3,3,6-trimethyl-2,4-dihydroisoquinoline-7-carboxylic acid Traditional Name: (1E)-1-(2-cyclohexyl-2-keto-ethylidene)-3,3,6-trimethyl-2,4-dihydroisoquinoline-7-carboxylic acid Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CC(NC2=CC(=O)C3CCCCC3)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C\2C(=C1)CC(N/C2=C/C(=O)C3CCCCC3)(C)C)C(=O)O

InChI

InChI=1S/C21H27NO3/c1-13-9-15-12-21(2,3)22-18(17(15)10-16(13)20(24)25)11-19(23)14-7-5-4-6-8-14/h9-11,14,22H,4-8,12H2,1-3H3,(H,24,25)/b18-11+