(phenylmethyl) 4-(6-chloranyl-1,3-benzodioxol-5-yl)-2-methylidene-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: (phenylmethyl) 4-(6-chloranyl-1,3-benzodioxol-5-yl)-2-methylidene-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: benzyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methylene-6-oxo-piperidine-3-carboxylate CAS Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methylene-6-oxo-3-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methylidene-6-oxopiperidine-3-carboxylate Traditional Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-6-keto-2-methylene-nipecotic acid benzyl ester Formula: C21H18ClNO5 MolecularWeight: 399.82432

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(CC(=O)N1)C2=CC3=C(C=C2Cl)OCO3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C=C1C(C(CC(=O)N1)C2=CC3=C(C=C2Cl)OCO3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H18ClNO5/c1-12-20(21(25)26-10-13-5-3-2-4-6-13)15(8-19(24)23-12)14-7-17-18(9-16(14)22)28-11-27-17/h2-7,9,15,20H,1,8,10-11H2,(H,23,24)