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

Systemtic Name: 8-methoxy-3-oxidanylidene-2-propan-2-yl-4-(pyridin-3-ylmethyl)-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 2-isopropyl-8-methoxy-3-oxo-4-(3-pyridylmethyl)-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 8-methoxy-3-oxo-2-propan-2-yl-4-(3-pyridinylmethyl)-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 8-methoxy-3-oxo-2-propan-2-yl-4-(pyridin-3-ylmethyl)-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 2-isopropyl-3-keto-8-methoxy-4-(3-pyridylmethyl)-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C2=C(O1)C=C(C=C2)OC)C(=O)O)CC3=CN=CC=C3

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=C(O1)C=C(C=C2)OC)C(=O)O)CC3=CN=CC=C3

InChI

InChI=1S/C20H22N2O5/c1-12(2)18-19(23)22(11-13-5-4-8-21-10-13)17(20(24)25)15-7-6-14(26-3)9-16(15)27-18/h4-10,12,17-18H,11H2,1-3H3,(H,24,25)