ethyl 2-[(3S)-4-(4-methylphenyl)carbonyl-2,3-dihydro-1,4-benzoxazin-3-yl]ethanoate

Systemtic Name: ethyl 2-[(3S)-4-(4-methylphenyl)carbonyl-2,3-dihydro-1,4-benzoxazin-3-yl]ethanoate Openeye Name: ethyl 2-[(3S)-4-(4-methylbenzoyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetate CAS Name: 2-[(3S)-4-[(4-methylphenyl)-oxomethyl]-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3S)-4-(4-methylbenzoyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetate Traditional Name: 2-[(3S)-4-p-toluoyl-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid ethyl ester Formula: C20H21NO4 MolecularWeight: 339.38504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1COC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C[C@H]1COC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H21NO4/c1-3-24-19(22)12-16-13-25-18-7-5-4-6-17(18)21(16)20(23)15-10-8-14(2)9-11-15/h4-11,16H,3,12-13H2,1-2H3/t16-/m0/s1