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

Systemtic Name: 4-[2-[(2S)-7-azanyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[(2S)-7-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[(2S)-7-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[(2S)-7-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[(2S)-7-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]amino]benzoic acid Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C2=C(O1)C=C(C=C2)N)CC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC[C@H]1CN(C2=C(O1)C=C(C=C2)N)CC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H21N3O4/c1-2-15-10-22(16-8-5-13(20)9-17(16)26-15)11-18(23)21-14-6-3-12(4-7-14)19(24)25/h3-9,15H,2,10-11,20H2,1H3,(H,21,23)(H,24,25)/t15-/m0/s1