methyl 3-[(9-oxidanylidene-3-bicyclo[3.3.1]nonanyl)carbonylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[(9-oxidanylidene-3-bicyclo[3.3.1]nonanyl)carbonylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[(9-oxobicyclo[3.3.1]nonane-3-carbonyl)amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[oxo-(9-oxo-3-bicyclo[3.3.1]nonanyl)methyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(9-oxobicyclo[3.3.1]nonane-3-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[(9-ketobicyclo[3.3.1]nonane-3-carbonyl)amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3CC4CCCC(C3)C4=O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3CC4CCCC(C3)C4=O

InChI

InChI=1S/C22H28N2O4/c1-28-22(27)16-7-8-19(24-9-2-3-10-24)18(13-16)23-21(26)17-11-14-5-4-6-15(12-17)20(14)25/h7-8,13-15,17H,2-6,9-12H2,1H3,(H,23,26)