4-[[(2S)-7-azanyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoic acid

Systemtic Name: 4-[[(2S)-7-azanyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoic acid Openeye Name: 4-[[(2S)-7-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoic acid CAS Name: 4-[[(2S)-7-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoic acid IUPAC Name: 4-[[(2S)-7-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoic acid Traditional Name: 4-[[(2S)-7-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoic acid Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3/c1-11-9-19(15-7-6-14(18)8-16(15)22-11)10-12-2-4-13(5-3-12)17(20)21/h2-8,11H,9-10,18H2,1H3,(H,20,21)/t11-/m0/s1