3-oxidanylidene-2-propan-2-yl-4-(pyridin-3-ylmethyl)-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 3-oxidanylidene-2-propan-2-yl-4-(pyridin-3-ylmethyl)-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 2-isopropyl-3-oxo-4-(3-pyridylmethyl)-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 3-oxo-2-propan-2-yl-4-(3-pyridinylmethyl)-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 3-oxo-2-propan-2-yl-4-(pyridin-3-ylmethyl)-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 2-isopropyl-3-keto-4-(3-pyridylmethyl)-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C2=CC=CC=C2O1)C(=O)O)CC3=CN=CC=C3

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=CC=CC=C2O1)C(=O)O)CC3=CN=CC=C3

InChI

InChI=1S/C19H20N2O4/c1-12(2)17-18(22)21(11-13-6-5-9-20-10-13)16(19(23)24)14-7-3-4-8-15(14)25-17/h3-10,12,16-17H,11H2,1-2H3,(H,23,24)