(1E)-1-[2-(1-adamantyl)-2-oxidanylidene-ethylidene]-6-methoxy-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylic acid

Systemtic Name: (1E)-1-[2-(1-adamantyl)-2-oxidanylidene-ethylidene]-6-methoxy-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylic acid Openeye Name: (1E)-1-[2-(1-adamantyl)-2-oxo-ethylidene]-6-methoxy-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylic acid CAS Name: (1E)-1-[2-(1-adamantyl)-2-oxoethylidene]-6-methoxy-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylic acid IUPAC Name: (1E)-1-[2-(1-adamantyl)-2-oxoethylidene]-6-methoxy-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylic acid Traditional Name: (1E)-1-[2-(1-adamantyl)-2-keto-ethylidene]-6-methoxy-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylic acid Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=C(C=C2C(=CC(=O)C34CC5CC(C3)CC(C5)C4)N1)C(=O)O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO4/c1-24(2)13-17-7-21(30-3)19(23(28)29)8-18(17)20(26-24)9-22(27)25-10-14-4-15(11-25)6-16(5-14)12-25/h7-9,14-16,26H,4-6,10-13H2,1-3H3,(H,28,29)/b20-9+