4-[3-(dimethylamino)-2,2-dimethyl-propyl]-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 4-[3-(dimethylamino)-2,2-dimethyl-propyl]-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 4-[3-(dimethylamino)-2,2-dimethyl-propyl]-2-isopropyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 4-[3-(dimethylamino)-2,2-dimethylpropyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 4-[3-(dimethylamino)-2,2-dimethylpropyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 4-[3-(dimethylamino)-2,2-dimethyl-propyl]-2-isopropyl-3-keto-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O4/c1-13(2)17-18(23)22(12-20(3,4)11-21(5)6)16(19(24)25)14-9-7-8-10-15(14)26-17/h7-10,13,16-17H,11-12H2,1-6H3,(H,24,25)