4-[(4-dimethylaminophenyl)methyl]-9-ethoxy-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 4-[(4-dimethylaminophenyl)methyl]-9-ethoxy-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 4-[(4-dimethylaminophenyl)methyl]-9-ethoxy-2-isopropyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 4-[(4-dimethylaminophenyl)methyl]-9-ethoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 4-[(4-dimethylaminophenyl)methyl]-9-ethoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 4-[4-(dimethylamino)benzyl]-9-ethoxy-2-isopropyl-3-keto-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C24H30N2O5 MolecularWeight: 426.5054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC(C(=O)N(C2C(=O)O)CC3=CC=C(C=C3)N(C)C)C(C)C

Isomeric SMILES

CCOC1=CC=CC2=C1OC(C(=O)N(C2C(=O)O)CC3=CC=C(C=C3)N(C)C)C(C)C

InChI

InChI=1S/C24H30N2O5/c1-6-30-19-9-7-8-18-20(24(28)29)26(23(27)21(15(2)3)31-22(18)19)14-16-10-12-17(13-11-16)25(4)5/h7-13,15,20-21H,6,14H2,1-5H3,(H,28,29)