ethyl 1-[2-[(2S)-6-methyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(2S)-6-methyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(2S)-2-isopropyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(2S)-6-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(2S)-6-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(2S)-2-isopropyl-3-keto-6-methyl-1,4-benzoxazin-4-yl]acetyl]isonipecotic acid ethyl ester Formula: C22H30N2O5 MolecularWeight: 402.484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CN2C3=C(C=CC(=C3)C)OC(C2=O)C(C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CN2C3=C(C=CC(=C3)C)O[C@H](C2=O)C(C)C

InChI

InChI=1S/C22H30N2O5/c1-5-28-22(27)16-8-10-23(11-9-16)19(25)13-24-17-12-15(4)6-7-18(17)29-20(14(2)3)21(24)26/h6-7,12,14,16,20H,5,8-11,13H2,1-4H3/t20-/m0/s1