4-[(4-dimethylaminophenyl)methyl]-8-methoxy-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 4-[(4-dimethylaminophenyl)methyl]-8-methoxy-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 4-[(4-dimethylaminophenyl)methyl]-2-isopropyl-8-methoxy-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 4-[(4-dimethylaminophenyl)methyl]-8-methoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 4-[(4-dimethylaminophenyl)methyl]-8-methoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 4-[4-(dimethylamino)benzyl]-2-isopropyl-3-keto-8-methoxy-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C23H28N2O5 MolecularWeight: 412.47882

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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=CC=C(C=C3)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5/c1-14(2)21-22(26)25(13-15-6-8-16(9-7-15)24(3)4)20(23(27)28)18-11-10-17(29-5)12-19(18)30-21/h6-12,14,20-21H,13H2,1-5H3,(H,27,28)