methyl (3S)-4-(3,3-dimethyl-2-oxidanylidene-4-quinolin-8-yl-azetidin-1-yl)adamantane-1-carboxylate

Systemtic Name: methyl (3S)-4-(3,3-dimethyl-2-oxidanylidene-4-quinolin-8-yl-azetidin-1-yl)adamantane-1-carboxylate Openeye Name: methyl (3S)-4-[3,3-dimethyl-2-oxo-4-(8-quinolyl)azetidin-1-yl]adamantane-1-carboxylate CAS Name: (3S)-4-[3,3-dimethyl-2-oxo-4-(8-quinolinyl)-1-azetidinyl]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl (3S)-4-(3,3-dimethyl-2-oxo-4-quinolin-8-ylazetidin-1-yl)adamantane-1-carboxylate Traditional Name: (3S)-4-[2-keto-3,3-dimethyl-4-(8-quinolyl)azetidin-1-yl]adamantane-1-carboxylic acid methyl ester Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(C1=O)C2C3CC4CC2CC(C4)(C3)C(=O)OC)C5=CC=CC6=C5N=CC=C6)C

Isomeric SMILES

CC1(C(N(C1=O)C2[C@H]3CC4CC2CC(C3)(C4)C(=O)OC)C5=CC=CC6=C5N=CC=C6)C

InChI

InChI=1S/C26H30N2O3/c1-25(2)22(19-8-4-6-16-7-5-9-27-20(16)19)28(23(25)29)21-17-10-15-11-18(21)14-26(12-15,13-17)24(30)31-3/h4-9,15,17-18,21-22H,10-14H2,1-3H3/t15?,17-,18?,21?,22?,26?/m0/s1