[(3S)-1-(1,3-benzodioxol-5-ylcarbonyl)piperidin-3-yl]-(4-chloranyl-2-methyl-phenyl)methanone

Systemtic Name: [(3S)-1-(1,3-benzodioxol-5-ylcarbonyl)piperidin-3-yl]-(4-chloranyl-2-methyl-phenyl)methanone Openeye Name: [(3S)-1-(1,3-benzodioxole-5-carbonyl)-3-piperidyl]-(4-chloro-2-methyl-phenyl)methanone CAS Name: [(3S)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-3-piperidinyl]-(4-chloro-2-methylphenyl)methanone IUPAC Name: [(3S)-1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]-(4-chloro-2-methylphenyl)methanone Traditional Name: (4-chloro-2-methyl-phenyl)-[(3S)-1-piperonyloyl-3-piperidyl]methanone Formula: C21H20ClNO4 MolecularWeight: 385.8408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=O)C2CCCN(C2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=O)[C@H]2CCCN(C2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20ClNO4/c1-13-9-16(22)5-6-17(13)20(24)15-3-2-8-23(11-15)21(25)14-4-7-18-19(10-14)27-12-26-18/h4-7,9-10,15H,2-3,8,11-12H2,1H3/t15-/m0/s1