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

Systemtic Name: diethyl (1S,4S)-3-methyl-4-(phenylcarbamoyl)cyclobut-2-ene-1,2-dicarboxylate Openeye Name: diethyl (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 diethyl ester IUPAC Name: diethyl (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 diethyl ester Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C1C(=O)OCC)C)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](C(=C1C(=O)OCC)C)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C18H21NO5/c1-4-23-17(21)14-11(3)13(15(14)18(22)24-5-2)16(20)19-12-9-7-6-8-10-12/h6-10,13,15H,4-5H2,1-3H3,(H,19,20)/t13-,15+/m1/s1