5-[[(2S)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[(2S)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]furan-2-carboxylic acid Openeye Name: 5-[[(2S)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]furan-2-carboxylic acid CAS Name: 5-[[(2S)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[(2S)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]furan-2-carboxylic acid Traditional Name: 5-[[(2S)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-2-furoic acid Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C2=CC=CC=C2O1)CC3=CC=C(O3)C(=O)O

Isomeric SMILES

CC[C@H]1CN(C2=CC=CC=C2O1)CC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C16H17NO4/c1-2-11-9-17(13-5-3-4-6-14(13)20-11)10-12-7-8-15(21-12)16(18)19/h3-8,11H,2,9-10H2,1H3,(H,18,19)/t11-/m0/s1