O1-ethyl O2,O3-dimethyl (3S,4R)-4-quinolin-2-ylcyclobutene-1,2,3-tricarboxylate

Systemtic Name: O1-ethyl O2,O3-dimethyl (3S,4R)-4-quinolin-2-ylcyclobutene-1,2,3-tricarboxylate Openeye Name: O1-ethyl O2,O3-dimethyl (3S,4R)-4-(2-quinolyl)cyclobutene-1,2,3-tricarboxylate CAS Name: (3S,4R)-4-(2-quinolinyl)cyclobutene-1,2,3-tricarboxylic acid O1-ethyl ester O2,O3-dimethyl ester IUPAC Name: 1-O-ethyl 2-O,3-O-dimethyl (3S,4R)-4-quinolin-2-ylcyclobutene-1,2,3-tricarboxylate Traditional Name: (3S,4R)-4-(2-quinolyl)cyclobutene-1,2,3-tricarboxylic acid O1-ethyl ester O2,O3-dimethyl ester Formula: C20H19NO6 MolecularWeight: 369.36796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(C1C2=NC3=CC=CC=C3C=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=C([C@H]([C@H]1C2=NC3=CC=CC=C3C=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H19NO6/c1-4-27-20(24)16-14(15(18(22)25-2)17(16)19(23)26-3)13-10-9-11-7-5-6-8-12(11)21-13/h5-10,14-15H,4H2,1-3H3/t14-,15+/m1/s1