(4-methylcyclohexyl) 2-[(2S)-6-ethanoyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanoate

Systemtic Name: (4-methylcyclohexyl) 2-[(2S)-6-ethanoyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanoate Openeye Name: (4-methylcyclohexyl) 2-[(2S)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetate CAS Name: 2-[(2S)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid (4-methylcyclohexyl) ester IUPAC Name: (4-methylcyclohexyl) 2-[(2S)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetate Traditional Name: 2-[(2S)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid (4-methylcyclohexyl) ester Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)OC(=O)CN2CC(OC3=C2C=C(C=C3)C(=O)C)C

Isomeric SMILES

C[C@H]1CN(C2=C(O1)C=CC(=C2)C(=O)C)CC(=O)OC3CCC(CC3)C

InChI

InChI=1S/C20H27NO4/c1-13-4-7-17(8-5-13)25-20(23)12-21-11-14(2)24-19-9-6-16(15(3)22)10-18(19)21/h6,9-10,13-14,17H,4-5,7-8,11-12H2,1-3H3/t13?,14-,17?/m0/s1