(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl (3S)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxylate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl (3S)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxylate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl (3S)-5-oxo-1-phenethyl-pyrrolidine-3-carboxylate CAS Name: (3S)-5-oxo-1-phenethyl-3-pyrrolidinecarboxylic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl (3S)-5-oxo-1-phenethylpyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-phenethyl-pyrrolidine-3-carboxylic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C25H25NO5 MolecularWeight: 419.4697

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CC(=O)N(C3)CCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)[C@H]3CC(=O)N(C3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H25NO5/c1-2-17-8-9-21-20(14-24(28)31-22(21)12-17)16-30-25(29)19-13-23(27)26(15-19)11-10-18-6-4-3-5-7-18/h3-9,12,14,19H,2,10-11,13,15-16H2,1H3/t19-/m0/s1