(1Z)-1-(2-cycloheptyl-2-oxidanylidene-ethylidene)-3,3-dimethyl-2,4-dihydroisoquinoline-6-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC(=C2)C(=O)O)C(=CC(=O)C3CCCCCC3)N1)C

Isomeric SMILES

CC1(CC2=C(C=CC(=C2)C(=O)O)/C(=C/C(=O)C3CCCCCC3)/N1)C

InChI

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