1-ethyl-4-[(2S)-2-(2-methylpropyl)-2,4-dihydro-1,3-benzoxazin-3-yl]pyrazole-3-carboxylic acid

Systemtic Name: 1-ethyl-4-[(2S)-2-(2-methylpropyl)-2,4-dihydro-1,3-benzoxazin-3-yl]pyrazole-3-carboxylic acid Openeye Name: 1-ethyl-4-[(2S)-2-isobutyl-2,4-dihydro-1,3-benzoxazin-3-yl]pyrazole-3-carboxylic acid CAS Name: 1-ethyl-4-[(2S)-2-(2-methylpropyl)-2,4-dihydro-1,3-benzoxazin-3-yl]-3-pyrazolecarboxylic acid IUPAC Name: 1-ethyl-4-[(2S)-2-(2-methylpropyl)-2,4-dihydro-1,3-benzoxazin-3-yl]pyrazole-3-carboxylic acid Traditional Name: 1-ethyl-4-[(2S)-2-isobutyl-2,4-dihydro-1,3-benzoxazin-3-yl]pyrazole-3-carboxylic acid Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)O)N2CC3=CC=CC=C3OC2CC(C)C

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)O)N2CC3=CC=CC=C3O[C@H]2CC(C)C

InChI

InChI=1S/C18H23N3O3/c1-4-20-11-14(17(19-20)18(22)23)21-10-13-7-5-6-8-15(13)24-16(21)9-12(2)3/h5-8,11-12,16H,4,9-10H2,1-3H3,(H,22,23)/t16-/m0/s1