ditert-butyl (1S,4S)-3-methyl-4-(phenylcarbamoyl)cyclobut-2-ene-1,2-dicarboxylate

Systemtic Name: ditert-butyl (1S,4S)-3-methyl-4-(phenylcarbamoyl)cyclobut-2-ene-1,2-dicarboxylate Openeye Name: ditert-butyl (1S,4S)-3-methyl-4-(phenylcarbamoyl)cyclobut-2-ene-1,2-dicarboxylate CAS Name: (1S,4S)-4-[anilino(oxo)methyl]-3-methylcyclobut-2-ene-1,2-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (1S,4S)-3-methyl-4-(phenylcarbamoyl)cyclobut-2-ene-1,2-dicarboxylate Traditional Name: (1S,4S)-3-methyl-4-(phenylcarbamoyl)cyclobut-2-ene-1,2-dicarboxylic acid ditert-butyl ester Formula: C22H29NO5 MolecularWeight: 387.46936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C1C(=O)NC2=CC=CC=C2)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C([C@H]([C@@H]1C(=O)NC2=CC=CC=C2)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H29NO5/c1-13-15(18(24)23-14-11-9-8-10-12-14)17(20(26)28-22(5,6)7)16(13)19(25)27-21(2,3)4/h8-12,15,17H,1-7H3,(H,23,24)/t15-,17+/m1/s1