(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridinecarboxylic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate Traditional Name: 2-pyrrolidinonicotinic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=C(N=CC=C3)N4CCCC4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=C(N=CC=C3)N4CCCC4)C

InChI

InChI=1S/C22H22N2O4/c1-14-10-18-16(12-20(25)28-19(18)11-15(14)2)13-27-22(26)17-6-5-7-23-21(17)24-8-3-4-9-24/h5-7,10-12H,3-4,8-9,13H2,1-2H3