methyl 1-(methoxymethyl)-4-(2-methoxyphenyl)-2-oxidanylidene-3-prop-2-enyl-6-(trifluoromethyl)-4,5-dihydro-1-benzazepine-3-carboxylate

Systemtic Name: methyl 1-(methoxymethyl)-4-(2-methoxyphenyl)-2-oxidanylidene-3-prop-2-enyl-6-(trifluoromethyl)-4,5-dihydro-1-benzazepine-3-carboxylate Openeye Name: methyl 3-allyl-1-(methoxymethyl)-4-(2-methoxyphenyl)-2-oxo-6-(trifluoromethyl)-4,5-dihydro-1-benzazepine-3-carboxylate CAS Name: 1-(methoxymethyl)-4-(2-methoxyphenyl)-2-oxo-3-prop-2-enyl-6-(trifluoromethyl)-4,5-dihydro-1-benzazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(methoxymethyl)-4-(2-methoxyphenyl)-2-oxo-3-prop-2-enyl-6-(trifluoromethyl)-4,5-dihydro-1-benzazepine-3-carboxylate Traditional Name: 3-allyl-2-keto-1-(methoxymethyl)-4-(2-methoxyphenyl)-6-(trifluoromethyl)-4,5-dihydro-1-benzazepine-3-carboxylic acid methyl ester Formula: C25H26F3NO5 MolecularWeight: 477.47285

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Descriptors Computed from Structure

Canonical SMILES:

COCN1C2=CC=CC(=C2CC(C(C1=O)(CC=C)C(=O)OC)C3=CC=CC=C3OC)C(F)(F)F

Isomeric SMILES

COCN1C2=CC=CC(=C2CC(C(C1=O)(CC=C)C(=O)OC)C3=CC=CC=C3OC)C(F)(F)F

InChI

InChI=1S/C25H26F3NO5/c1-5-13-24(23(31)34-4)19(16-9-6-7-12-21(16)33-3)14-17-18(25(26,27)28)10-8-11-20(17)29(15-32-2)22(24)30/h5-12,19H,1,13-15H2,2-4H3