tert-butyl 3-acetyloxy-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepine-6-carboxylate

Systemtic Name: tert-butyl 3-acetyloxy-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepine-6-carboxylate Openeye Name: tert-butyl 3-acetoxy-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxo-4,5-dihydro-3H-1-benzazepine-6-carboxylate CAS Name: 3-acetyloxy-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxo-4,5-dihydro-3H-1-benzazepine-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-acetyloxy-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxo-4,5-dihydro-3H-1-benzazepine-6-carboxylate Traditional Name: 3-acetoxy-1-(2-dimethylaminoethyl)-2-keto-4-(4-methoxyphenyl)-4,5-dihydro-3H-1-benzazepine-6-carboxylic acid tert-butyl ester Formula: C28H36N2O6 MolecularWeight: 496.59524

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(CC2=C(C=CC=C2N(C1=O)CCN(C)C)C(=O)OC(C)(C)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)OC1C(CC2=C(C=CC=C2N(C1=O)CCN(C)C)C(=O)OC(C)(C)C)C3=CC=C(C=C3)OC

InChI

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