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

Systemtic Name: methyl (3S)-4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxidanylidene-azetidin-1-yl)adamantane-1-carboxylate Openeye Name: methyl (3S)-4-[3,3-dimethyl-2-(1-naphthyl)-4-oxo-azetidin-1-yl]adamantane-1-carboxylate CAS Name: (3S)-4-[3,3-dimethyl-2-(1-naphthalenyl)-4-oxo-1-azetidinyl]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl (3S)-4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxoazetidin-1-yl)adamantane-1-carboxylate Traditional Name: (3S)-4-[2-keto-3,3-dimethyl-4-(1-naphthyl)azetidin-1-yl]adamantane-1-carboxylic acid methyl ester Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO3/c1-26(2)23(21-10-6-8-17-7-4-5-9-20(17)21)28(24(26)29)22-18-11-16-12-19(22)15-27(13-16,14-18)25(30)31-3/h4-10,16,18-19,22-23H,11-15H2,1-3H3/t16?,18-,19?,22?,23?,27?/m0/s1