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

Systemtic Name: 4-[[(2S)-7-azanyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoate Openeye Name: 4-[[(2S)-7-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoate CAS Name: 4-[[(2S)-7-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoate IUPAC Name: 4-[[(2S)-7-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoate Traditional Name: 4-[[(2S)-7-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoate Formula: C18H19N2O3- MolecularWeight: 311.35506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3/c1-2-15-11-20(16-8-7-14(19)9-17(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)/p-1/t15-/m0/s1