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

Systemtic Name: methyl 4-(4-methoxyphenyl)-2-oxidanylidene-3-prop-2-enyl-4,5-dihydro-1H-1-benzazepine-3-carboxylate Openeye Name: methyl 3-allyl-4-(4-methoxyphenyl)-2-oxo-4,5-dihydro-1H-1-benzazepine-3-carboxylate CAS Name: 4-(4-methoxyphenyl)-2-oxo-3-prop-2-enyl-4,5-dihydro-1H-1-benzazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-methoxyphenyl)-2-oxo-3-prop-2-enyl-4,5-dihydro-1H-1-benzazepine-3-carboxylate Traditional Name: 3-allyl-2-keto-4-(4-methoxyphenyl)-4,5-dihydro-1H-1-benzazepine-3-carboxylic acid methyl ester Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC3=CC=CC=C3NC(=O)C2(CC=C)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2CC3=CC=CC=C3NC(=O)C2(CC=C)C(=O)OC

InChI

InChI=1S/C22H23NO4/c1-4-13-22(21(25)27-3)18(15-9-11-17(26-2)12-10-15)14-16-7-5-6-8-19(16)23-20(22)24/h4-12,18H,1,13-14H2,2-3H3,(H,23,24)