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

Systemtic Name: (4-methylcyclohexyl) 2-[(2S)-6-ethanoyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanoate Openeye Name: (4-methylcyclohexyl) 2-[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetate CAS Name: 2-[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid (4-methylcyclohexyl) ester IUPAC Name: (4-methylcyclohexyl) 2-[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetate Traditional Name: 2-[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid (4-methylcyclohexyl) ester Formula: C21H29NO4 MolecularWeight: 359.45926

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C2=C(O1)C=CC(=C2)C(=O)C)CC(=O)OC3CCC(CC3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO4/c1-4-17-12-22(13-21(24)26-18-8-5-14(2)6-9-18)19-11-16(15(3)23)7-10-20(19)25-17/h7,10-11,14,17-18H,4-6,8-9,12-13H2,1-3H3/t14?,17-,18?/m0/s1