(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (3S)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxylate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (3S)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxylate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl (3S)-5-oxo-1-phenethyl-pyrrolidine-3-carboxylate CAS Name: (3S)-5-oxo-1-phenethyl-3-pyrrolidinecarboxylic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl (3S)-5-oxo-1-phenethylpyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-phenethyl-pyrrolidine-3-carboxylic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C25H25NO5 MolecularWeight: 419.4697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CC(=O)N(C3)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)[C@H]3CC(=O)N(C3)CCC4=CC=CC=C4)C

InChI

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