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

Systemtic Name: dimethyl (1S,4S)-3-methyl-4-(phenylcarbamoyl)cyclobut-2-ene-1,2-dicarboxylate Openeye Name: dimethyl (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 dimethyl ester IUPAC Name: dimethyl (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 dimethyl ester Formula: C16H17NO5 MolecularWeight: 303.30988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO5/c1-9-11(14(18)17-10-7-5-4-6-8-10)13(16(20)22-3)12(9)15(19)21-2/h4-8,11,13H,1-3H3,(H,17,18)/t11-,13+/m1/s1