butyl (1E)-1-[2-(1-adamantyl)-2-oxidanylidene-ethylidene]-6-chloranyl-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylate

Systemtic Name: butyl (1E)-1-[2-(1-adamantyl)-2-oxidanylidene-ethylidene]-6-chloranyl-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylate Openeye Name: butyl (1E)-1-[2-(1-adamantyl)-2-oxo-ethylidene]-6-chloro-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylate CAS Name: (1E)-1-[2-(1-adamantyl)-2-oxoethylidene]-6-chloro-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylic acid butyl ester IUPAC Name: butyl (1E)-1-[2-(1-adamantyl)-2-oxoethylidene]-6-chloro-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylate Traditional Name: (1E)-1-[2-(1-adamantyl)-2-keto-ethylidene]-6-chloro-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylic acid butyl ester Formula: C28H36ClNO3 MolecularWeight: 470.04334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=C2CC(NC(=CC(=O)C34CC5CC(C3)CC(C5)C4)C2=C1)(C)C)Cl

Isomeric SMILES

CCCCOC(=O)C1=C(C=C2CC(N/C(=C/C(=O)C34CC5CC(C3)CC(C5)C4)/C2=C1)(C)C)Cl

InChI

InChI=1S/C28H36ClNO3/c1-4-5-6-33-26(32)22-11-21-20(10-23(22)29)16-27(2,3)30-24(21)12-25(31)28-13-17-7-18(14-28)9-19(8-17)15-28/h10-12,17-19,30H,4-9,13-16H2,1-3H3/b24-12+