[(2R)-4,5-bis(oxidanylidene)-1-phenethyl-2-pyridin-4-yl-pyrrolidin-3-ylidene]-(4-ethoxyphenyl)methanolate

Systemtic Name: [(2R)-4,5-bis(oxidanylidene)-1-phenethyl-2-pyridin-4-yl-pyrrolidin-3-ylidene]-(4-ethoxyphenyl)methanolate Openeye Name: [(2R)-4,5-dioxo-1-phenethyl-2-(4-pyridyl)pyrrolidin-3-ylidene]-(4-ethoxyphenyl)methanolate CAS Name: [(2R)-4,5-dioxo-1-phenethyl-2-pyridin-4-yl-3-pyrrolidinylidene]-(4-ethoxyphenyl)methanolate IUPAC Name: [(2R)-4,5-dioxo-1-phenethyl-2-pyridin-4-ylpyrrolidin-3-ylidene]-(4-ethoxyphenyl)methanolate Traditional Name: [(2R)-4,5-diketo-1-phenethyl-2-(4-pyridyl)pyrrolidin-3-ylidene]-p-phenetyl-methanolate Formula: C26H23N2O4- MolecularWeight: 427.47182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC3=CC=CC=C3)C4=CC=NC=C4)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=C2[C@H](N(C(=O)C2=O)CCC3=CC=CC=C3)C4=CC=NC=C4)[O-]

InChI

InChI=1S/C26H24N2O4/c1-2-32-21-10-8-20(9-11-21)24(29)22-23(19-12-15-27-16-13-19)28(26(31)25(22)30)17-14-18-6-4-3-5-7-18/h3-13,15-16,23,29H,2,14,17H2,1H3/p-1/t23-/m1/s1