1-adamantyl 2-methyl-5-oxidanylidene-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate

Systemtic Name: 1-adamantyl 2-methyl-5-oxidanylidene-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate Openeye Name: 1-adamantyl 2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate CAS Name: 2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylic acid 1-adamantyl ester IUPAC Name: 1-adamantyl 2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate Traditional Name: 5-keto-2-methyl-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylic acid 1-adamantyl ester Formula: C30H29NO3 MolecularWeight: 451.55616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)C3=CC=CC=C3C2=O)C4=CC=CC=C4)C(=O)OC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CC1=C(C(C2=C(N1)C3=CC=CC=C3C2=O)C4=CC=CC=C4)C(=O)OC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C30H29NO3/c1-17-24(29(33)34-30-14-18-11-19(15-30)13-20(12-18)16-30)25(21-7-3-2-4-8-21)26-27(31-17)22-9-5-6-10-23(22)28(26)32/h2-10,18-20,25,31H,11-16H2,1H3