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

Systemtic Name: 3-[[(2S)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoic acid Openeye Name: 3-[[(2S)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoic acid CAS Name: 3-[[(2S)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoic acid IUPAC Name: 3-[[(2S)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoic acid Traditional Name: 3-[[(2S)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoic acid Formula: C17H17NO3 MolecularWeight: 283.32178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=CC=CC=C2O1)CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO3/c1-12-10-18(15-7-2-3-8-16(15)21-12)11-13-5-4-6-14(9-13)17(19)20/h2-9,12H,10-11H2,1H3,(H,19,20)/t12-/m0/s1