methyl (4E)-4-ethylidene-5-methyl-1-(phenylcarbonyl)-2-(phenylmethyl)-3,5-dihydroazepine-2-carboxylate

Systemtic Name: methyl (4E)-4-ethylidene-5-methyl-1-(phenylcarbonyl)-2-(phenylmethyl)-3,5-dihydroazepine-2-carboxylate Openeye Name: methyl (4E)-1-benzoyl-2-benzyl-4-ethylidene-5-methyl-3,5-dihydroazepine-2-carboxylate CAS Name: (4E)-1-benzoyl-4-ethylidene-5-methyl-2-(phenylmethyl)-3,5-dihydroazepine-2-carboxylic acid methyl ester IUPAC Name: methyl (4E)-1-benzoyl-2-benzyl-4-ethylidene-5-methyl-3,5-dihydroazepine-2-carboxylate Traditional Name: (4E)-1-benzoyl-2-benzyl-4-ethylidene-5-methyl-3,5-dihydroazepine-2-carboxylic acid methyl ester Formula: C25H27NO3 MolecularWeight: 389.48678

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Descriptors Computed from Structure

Canonical SMILES:

CC=C1CC(N(C=CC1C)C(=O)C2=CC=CC=C2)(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

C/C=C/1\CC(N(C=CC1C)C(=O)C2=CC=CC=C2)(CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H27NO3/c1-4-21-18-25(24(28)29-3,17-20-11-7-5-8-12-20)26(16-15-19(21)2)23(27)22-13-9-6-10-14-22/h4-16,19H,17-18H2,1-3H3/b21-4+