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

Systemtic Name: ethyl 1-[3-[(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3-[(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoyl]piperidine-3-carboxylate CAS Name: 1-[[3-[(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)methyl]phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoyl]piperidine-3-carboxylate Traditional Name: 1-[3-[(6-tert-butyl-3-keto-1,4-benzoxazin-4-yl)methyl]benzoyl]nipecotic acid ethyl ester Formula: C28H34N2O5 MolecularWeight: 478.57996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)CN3C(=O)COC4=C3C=C(C=C4)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)CN3C(=O)COC4=C3C=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H34N2O5/c1-5-34-27(33)21-10-7-13-29(17-21)26(32)20-9-6-8-19(14-20)16-30-23-15-22(28(2,3)4)11-12-24(23)35-18-25(30)31/h6,8-9,11-12,14-15,21H,5,7,10,13,16-18H2,1-4H3