(3S)-4-(3,3-dimethyl-2-oxidanylidene-4-quinolin-4-yl-azetidin-1-yl)adamantane-1-carboxylic acid

Systemtic Name: (3S)-4-(3,3-dimethyl-2-oxidanylidene-4-quinolin-4-yl-azetidin-1-yl)adamantane-1-carboxylic acid Openeye Name: (3S)-4-[3,3-dimethyl-2-oxo-4-(4-quinolyl)azetidin-1-yl]adamantane-1-carboxylic acid CAS Name: (3S)-4-[3,3-dimethyl-2-oxo-4-(4-quinolinyl)-1-azetidinyl]-1-adamantanecarboxylic acid IUPAC Name: (3S)-4-(3,3-dimethyl-2-oxo-4-quinolin-4-ylazetidin-1-yl)adamantane-1-carboxylic acid Traditional Name: (3S)-4-[2-keto-3,3-dimethyl-4-(4-quinolyl)azetidin-1-yl]adamantane-1-carboxylic acid Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(C1=O)C2C3CC4CC2CC(C4)(C3)C(=O)O)C5=CC=NC6=CC=CC=C56)C

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O3/c1-24(2)21(18-7-8-26-19-6-4-3-5-17(18)19)27(22(24)28)20-15-9-14-10-16(20)13-25(11-14,12-15)23(29)30/h3-8,14-16,20-21H,9-13H2,1-2H3,(H,29,30)/t14?,15-,16?,20?,21?,25?/m0/s1