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

Systemtic Name: (3S)-4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxidanylidene-azetidin-1-yl)adamantane-1-carboxylic acid Openeye Name: (3S)-4-[3,3-dimethyl-2-(1-naphthyl)-4-oxo-azetidin-1-yl]adamantane-1-carboxylic acid CAS Name: (3S)-4-[3,3-dimethyl-2-(1-naphthalenyl)-4-oxo-1-azetidinyl]-1-adamantanecarboxylic acid IUPAC Name: (3S)-4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxoazetidin-1-yl)adamantane-1-carboxylic acid Traditional Name: (3S)-4-[2-keto-3,3-dimethyl-4-(1-naphthyl)azetidin-1-yl]adamantane-1-carboxylic acid Formula: C26H29NO3 MolecularWeight: 403.51336

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(C1=O)C2C3CC4CC2CC(C4)(C3)C(=O)O)C5=CC=CC6=CC=CC=C65)C

Isomeric SMILES

CC1(C(N(C1=O)C2[C@H]3CC4CC2CC(C3)(C4)C(=O)O)C5=CC=CC6=CC=CC=C65)C

InChI

InChI=1S/C26H29NO3/c1-25(2)22(20-9-5-7-16-6-3-4-8-19(16)20)27(23(25)28)21-17-10-15-11-18(21)14-26(12-15,13-17)24(29)30/h3-9,15,17-18,21-22H,10-14H2,1-2H3,(H,29,30)/t15?,17-,18?,21?,22?,26?/m0/s1