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

Systemtic Name: 4-[[(2S)-6-ethanoyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoic acid Openeye Name: 4-[[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoic acid CAS Name: 4-[[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoic acid IUPAC Name: 4-[[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoic acid Traditional Name: 4-[[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoic acid Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C2=C(O1)C=CC(=C2)C(=O)C)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO4/c1-3-17-12-21(11-14-4-6-15(7-5-14)20(23)24)18-10-16(13(2)22)8-9-19(18)25-17/h4-10,17H,3,11-12H2,1-2H3,(H,23,24)/t17-/m0/s1