[3-acetyloxy-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-7-yl] 2,2-dimethylpropanoate

Systemtic Name: [3-acetyloxy-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-7-yl] 2,2-dimethylpropanoate Openeye Name: [3-acetoxy-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [3-acetyloxy-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl] ester IUPAC Name: [3-acetyloxy-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [3-acetoxy-1-(2-dimethylaminoethyl)-2-keto-4-(4-methoxyphenyl)-4,5-dihydro-3H-1-benzazepin-7-yl] ester Formula: C28H36N2O6 MolecularWeight: 496.59524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(CC2=C(C=CC(=C2)OC(=O)C(C)(C)C)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)OC1C(CC2=C(C=CC(=C2)OC(=O)C(C)(C)C)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C28H36N2O6/c1-18(31)35-25-23(19-8-10-21(34-7)11-9-19)17-20-16-22(36-27(33)28(2,3)4)12-13-24(20)30(26(25)32)15-14-29(5)6/h8-13,16,23,25H,14-15,17H2,1-7H3