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

Systemtic Name: ethyl 4-[3-[(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-[(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)methyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(6-tert-butyl-3-keto-1,4-benzoxazin-4-yl)methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)CN3C(=O)COC4=C3C=C(C=C4)C(C)(C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)CN3C(=O)COC4=C3C=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H33N3O5/c1-5-34-26(33)29-13-11-28(12-14-29)25(32)20-8-6-7-19(15-20)17-30-22-16-21(27(2,3)4)9-10-23(22)35-18-24(30)31/h6-10,15-16H,5,11-14,17-18H2,1-4H3