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

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridinecarboxylic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate Traditional Name: 2-pyrrolidinonicotinic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(N=CC=C3)N4CCCC4)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(N=CC=C3)N4CCCC4)Cl

InChI

InChI=1S/C22H21ClN2O4/c1-2-14-10-19-17(12-18(14)23)15(11-20(26)29-19)13-28-22(27)16-6-5-7-24-21(16)25-8-3-4-9-25/h5-7,10-12H,2-4,8-9,13H2,1H3