2-adamantyl (4R)-2-methyl-5-oxidanylidene-4-[(E)-2-phenylethenyl]-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate

Systemtic Name: 2-adamantyl (4R)-2-methyl-5-oxidanylidene-4-[(E)-2-phenylethenyl]-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate Openeye Name: 2-adamantyl (4R)-2-methyl-5-oxo-4-[(E)-styryl]-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate CAS Name: (4R)-2-methyl-5-oxo-4-[(E)-2-phenylethenyl]-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylic acid 2-adamantyl ester IUPAC Name: 2-adamantyl (4R)-2-methyl-5-oxo-4-[(E)-2-phenylethenyl]-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate Traditional Name: (4R)-5-keto-2-methyl-4-[(E)-styryl]-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylic acid 2-adamantyl ester Formula: C32H31NO3 MolecularWeight: 477.59344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)C3=CC=CC=C3C2=O)C=CC4=CC=CC=C4)C(=O)OC5C6CC7CC(C6)CC5C7

Isomeric SMILES

CC1=C([C@@H](C2=C(N1)C3=CC=CC=C3C2=O)/C=C/C4=CC=CC=C4)C(=O)OC5C6CC7CC(C6)CC5C7

InChI

InChI=1S/C32H31NO3/c1-18-27(32(35)36-31-22-14-20-13-21(16-22)17-23(31)15-20)26(12-11-19-7-3-2-4-8-19)28-29(33-18)24-9-5-6-10-25(24)30(28)34/h2-12,20-23,26,31,33H,13-17H2,1H3/b12-11+/t20?,21?,22?,23?,26-,31?/m0/s1