ethyl 1-[3-[[6-(2-methylbutan-2-yl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-[[6-(2-methylbutan-2-yl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3-[[6-(1,1-dimethylpropyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoyl]piperidine-3-carboxylate CAS Name: 1-[[3-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoyl]piperidine-3-carboxylate Traditional Name: 1-[3-[(6-tert-amyl-3-keto-1,4-benzoxazin-4-yl)methyl]benzoyl]nipecotic acid ethyl ester Formula: C29H36N2O5 MolecularWeight: 492.60654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC(=C3)C(=O)N4CCCC(C4)C(=O)OCC

Isomeric SMILES

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC(=C3)C(=O)N4CCCC(C4)C(=O)OCC

InChI

InChI=1S/C29H36N2O5/c1-5-29(3,4)23-12-13-25-24(16-23)31(26(32)19-36-25)17-20-9-7-10-21(15-20)27(33)30-14-8-11-22(18-30)28(34)35-6-2/h7,9-10,12-13,15-16,22H,5-6,8,11,14,17-19H2,1-4H3