ethyl 1-methyl-5-phenyl-2,3,6,7-tetrahydroazepine-2-carboxylate

Systemtic Name: ethyl 1-methyl-5-phenyl-2,3,6,7-tetrahydroazepine-2-carboxylate Openeye Name: ethyl 1-methyl-5-phenyl-2,3,6,7-tetrahydroazepine-2-carboxylate CAS Name: 1-methyl-5-phenyl-2,3,6,7-tetrahydroazepine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-5-phenyl-2,3,6,7-tetrahydroazepine-2-carboxylate Traditional Name: 1-methyl-5-phenyl-2,3,6,7-tetrahydroazepine-2-carboxylic acid ethyl ester Formula: C16H21NO2 MolecularWeight: 259.34344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC=C(CCN1C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1CC=C(CCN1C)C2=CC=CC=C2

InChI

InChI=1S/C16H21NO2/c1-3-19-16(18)15-10-9-14(11-12-17(15)2)13-7-5-4-6-8-13/h4-9,15H,3,10-12H2,1-2H3