4-[[(2S)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoate

Systemtic Name: 4-[[(2S)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoate Openeye Name: 4-[[(2S)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoate CAS Name: 4-[[(2S)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoate IUPAC Name: 4-[[(2S)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoate Traditional Name: 4-[[(2S)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoate Formula: C18H18NO3- MolecularWeight: 296.34042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C2=CC=CC=C2O1)CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC[C@H]1CN(C2=CC=CC=C2O1)CC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C18H19NO3/c1-2-15-12-19(16-5-3-4-6-17(16)22-15)11-13-7-9-14(10-8-13)18(20)21/h3-10,15H,2,11-12H2,1H3,(H,20,21)/p-1/t15-/m0/s1