(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 1-[2-(tert-butylamino)-2-oxidanylidene-ethyl]cyclopentane-1-carboxylate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 1-[2-(tert-butylamino)-2-oxidanylidene-ethyl]cyclopentane-1-carboxylate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 1-[2-(tert-butylamino)-2-oxo-ethyl]cyclopentanecarboxylate CAS Name: 1-[2-(tert-butylamino)-2-oxoethyl]-1-cyclopentanecarboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxylate Traditional Name: 1-[2-(tert-butylamino)-2-keto-ethyl]cyclopentanecarboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H28ClNO5 MolecularWeight: 409.90372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CC1(CCCC1)C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

CC(C)(C)NC(=O)CC1(CCCC1)C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C21H28ClNO5/c1-20(2,3)23-17(24)10-21(6-4-5-7-21)19(25)27-12-15-9-16(22)8-14-11-26-13-28-18(14)15/h8-9H,4-7,10-13H2,1-3H3,(H,23,24)