(4-pyrrolidin-1-ylcarbonylphenyl)methyl 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 6-chlorochromane-3-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: 6-chlorochroman-3-carboxylic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C22H22ClNO4 MolecularWeight: 399.86738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C22H22ClNO4/c23-19-7-8-20-17(12-19)11-18(14-27-20)22(26)28-13-15-3-5-16(6-4-15)21(25)24-9-1-2-10-24/h3-8,12,18H,1-2,9-11,13-14H2