(1E)-1-[2-(1-adamantyl)-2-oxidanylidene-ethylidene]-3,3-dimethyl-2,4-dihydroisoquinoline-6-carboxylic acid

Systemtic Name: (1E)-1-[2-(1-adamantyl)-2-oxidanylidene-ethylidene]-3,3-dimethyl-2,4-dihydroisoquinoline-6-carboxylic acid Openeye Name: (1E)-1-[2-(1-adamantyl)-2-oxo-ethylidene]-3,3-dimethyl-2,4-dihydroisoquinoline-6-carboxylic acid CAS Name: (1E)-1-[2-(1-adamantyl)-2-oxoethylidene]-3,3-dimethyl-2,4-dihydroisoquinoline-6-carboxylic acid IUPAC Name: (1E)-1-[2-(1-adamantyl)-2-oxoethylidene]-3,3-dimethyl-2,4-dihydroisoquinoline-6-carboxylic acid Traditional Name: (1E)-1-[2-(1-adamantyl)-2-keto-ethylidene]-3,3-dimethyl-2,4-dihydroisoquinoline-6-carboxylic acid Formula: C24H29NO3 MolecularWeight: 379.49196

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC(=C2)C(=O)O)C(=CC(=O)C34CC5CC(C3)CC(C5)C4)N1)C

Isomeric SMILES

CC1(CC2=C(C=CC(=C2)C(=O)O)/C(=C\C(=O)C34CC5CC(C3)CC(C5)C4)/N1)C

InChI

InChI=1S/C24H29NO3/c1-23(2)13-18-8-17(22(27)28)3-4-19(18)20(25-23)9-21(26)24-10-14-5-15(11-24)7-16(6-14)12-24/h3-4,8-9,14-16,25H,5-7,10-13H2,1-2H3,(H,27,28)/b20-9+