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

Systemtic Name: [(2S)-4,5-bis(oxidanylidene)-1-phenethyl-2-pyridin-4-yl-pyrrolidin-3-ylidene]-(4-propoxyphenyl)methanolate Openeye Name: [(2S)-4,5-dioxo-1-phenethyl-2-(4-pyridyl)pyrrolidin-3-ylidene]-(4-propoxyphenyl)methanolate CAS Name: [(2S)-4,5-dioxo-1-phenethyl-2-pyridin-4-yl-3-pyrrolidinylidene]-(4-propoxyphenyl)methanolate IUPAC Name: [(2S)-4,5-dioxo-1-phenethyl-2-pyridin-4-ylpyrrolidin-3-ylidene]-(4-propoxyphenyl)methanolate Traditional Name: [(2S)-4,5-diketo-1-phenethyl-2-(4-pyridyl)pyrrolidin-3-ylidene]-(4-propoxyphenyl)methanolate Formula: C27H25N2O4- MolecularWeight: 441.4984

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC3=CC=CC=C3)C4=CC=NC=C4)[O-]

Isomeric SMILES

CCCOC1=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/C27H26N2O4/c1-2-18-33-22-10-8-21(9-11-22)25(30)23-24(20-12-15-28-16-13-20)29(27(32)26(23)31)17-14-19-6-4-3-5-7-19/h3-13,15-16,24,30H,2,14,17-18H2,1H3/p-1/t24-/m0/s1