2-[4-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethyl 2,2-dimethylpropanoate

Systemtic Name: 2-[4-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethyl 2,2-dimethylpropanoate Openeye Name: 2-[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 2-[4-(7-oxo-1-cyclohepta-1,3,5-trienyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 2-[4-(7-ketocyclohepta-1,3,5-trien-1-yl)piperazino]ethyl ester Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCCN1CCN(CC1)C2=CC=CC=CC2=O

Isomeric SMILES

CC(C)(C)C(=O)OCCN1CCN(CC1)C2=CC=CC=CC2=O

InChI

InChI=1S/C18H26N2O3/c1-18(2,3)17(22)23-14-13-19-9-11-20(12-10-19)15-7-5-4-6-8-16(15)21/h4-8H,9-14H2,1-3H3