methyl (1R,2S,3R)-2,3-bis(4-dimethylaminophenyl)-5-oxidanylidene-cyclopentane-1-carboxylate

Systemtic Name: methyl (1R,2S,3R)-2,3-bis(4-dimethylaminophenyl)-5-oxidanylidene-cyclopentane-1-carboxylate Openeye Name: methyl (1R,2S,3R)-2,3-bis(4-dimethylaminophenyl)-5-oxo-cyclopentanecarboxylate CAS Name: (1R,2S,3R)-2,3-bis(4-dimethylaminophenyl)-5-oxo-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2S,3R)-2,3-bis(4-dimethylaminophenyl)-5-oxocyclopentane-1-carboxylate Traditional Name: (1R,2S,3R)-2,3-bis(4-dimethylaminophenyl)-5-keto-cyclopentanecarboxylic acid methyl ester Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2CC(=O)C(C2C3=CC=C(C=C3)N(C)C)C(=O)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@@H]2CC(=O)[C@@H]([C@H]2C3=CC=C(C=C3)N(C)C)C(=O)OC

InChI

InChI=1S/C23H28N2O3/c1-24(2)17-10-6-15(7-11-17)19-14-20(26)22(23(27)28-5)21(19)16-8-12-18(13-9-16)25(3)4/h6-13,19,21-22H,14H2,1-5H3/t19-,21-,22-/m0/s1