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

Systemtic Name: methyl (3S)-4-(3,3-dimethyl-2-oxidanylidene-4-quinolin-4-yl-azetidin-1-yl)adamantane-1-carboxylate Openeye Name: methyl (3S)-4-[3,3-dimethyl-2-oxo-4-(4-quinolyl)azetidin-1-yl]adamantane-1-carboxylate CAS Name: (3S)-4-[3,3-dimethyl-2-oxo-4-(4-quinolinyl)-1-azetidinyl]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl (3S)-4-(3,3-dimethyl-2-oxo-4-quinolin-4-ylazetidin-1-yl)adamantane-1-carboxylate Traditional Name: (3S)-4-[2-keto-3,3-dimethyl-4-(4-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=NC6=CC=CC=C56)C

Isomeric SMILES

CC1(C(N(C1=O)C2[C@H]3CC4CC2CC(C3)(C4)C(=O)OC)C5=CC=NC6=CC=CC=C56)C

InChI

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