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

Systemtic Name: 4-[[(2S)-6-ethanoyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoic acid Openeye Name: 4-[[(2S)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoic acid CAS Name: 4-[[(2S)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoic acid IUPAC Name: 4-[[(2S)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoic acid Traditional Name: 4-[[(2S)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoic acid Formula: C19H19NO4 MolecularWeight: 325.35846

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=C(O1)C=CC(=C2)C(=O)C)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C[C@H]1CN(C2=C(O1)C=CC(=C2)C(=O)C)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H19NO4/c1-12-10-20(11-14-3-5-15(6-4-14)19(22)23)17-9-16(13(2)21)7-8-18(17)24-12/h3-9,12H,10-11H2,1-2H3,(H,22,23)/t12-/m0/s1