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

Systemtic Name: [(2R)-4,5-bis(oxidanylidene)-1-phenethyl-2-pyridin-4-yl-pyrrolidin-3-ylidene]-(4-methylphenyl)methanolate Openeye Name: [(2R)-4,5-dioxo-1-phenethyl-2-(4-pyridyl)pyrrolidin-3-ylidene]-(p-tolyl)methanolate CAS Name: [(2R)-4,5-dioxo-1-phenethyl-2-pyridin-4-yl-3-pyrrolidinylidene]-(4-methylphenyl)methanolate IUPAC Name: [(2R)-4,5-dioxo-1-phenethyl-2-pyridin-4-ylpyrrolidin-3-ylidene]-(4-methylphenyl)methanolate Traditional Name: [(2R)-4,5-diketo-1-phenethyl-2-(4-pyridyl)pyrrolidin-3-ylidene]-(p-tolyl)methanolate Formula: C25H21N2O3- MolecularWeight: 397.44584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC3=CC=CC=C3)C4=CC=NC=C4)[O-]

Isomeric SMILES

CC1=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/C25H22N2O3/c1-17-7-9-20(10-8-17)23(28)21-22(19-11-14-26-15-12-19)27(25(30)24(21)29)16-13-18-5-3-2-4-6-18/h2-12,14-15,22,28H,13,16H2,1H3/p-1/t22-/m1/s1