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

Systemtic Name: 4-[[(2S)-6-azanyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoic acid Openeye Name: 4-[[(2S)-6-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoic acid CAS Name: 4-[[(2S)-6-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoic acid IUPAC Name: 4-[[(2S)-6-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoic acid Traditional Name: 4-[[(2S)-6-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoic acid Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3/c1-2-15-11-20(16-9-14(19)7-8-17(16)23-15)10-12-3-5-13(6-4-12)18(21)22/h3-9,15H,2,10-11,19H2,1H3,(H,21,22)/t15-/m0/s1