4-[(4-dimethylaminophenyl)methyl]-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 4-[(4-dimethylaminophenyl)methyl]-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 4-[(4-dimethylaminophenyl)methyl]-2-isopropyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 4-[(4-dimethylaminophenyl)methyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 4-[(4-dimethylaminophenyl)methyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 4-[4-(dimethylamino)benzyl]-2-isopropyl-3-keto-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4/c1-14(2)20-21(25)24(13-15-9-11-16(12-10-15)23(3)4)19(22(26)27)17-7-5-6-8-18(17)28-20/h5-12,14,19-20H,13H2,1-4H3,(H,26,27)