ethyl (9E)-2-methyl-9-(phenylmethylidene)-5,6,7,8-tetrahydrocyclohepta[b]pyridine-3-carboxylate

Systemtic Name: ethyl (9E)-2-methyl-9-(phenylmethylidene)-5,6,7,8-tetrahydrocyclohepta[b]pyridine-3-carboxylate Openeye Name: ethyl (9E)-9-benzylidene-2-methyl-5,6,7,8-tetrahydrocyclohepta[b]pyridine-3-carboxylate CAS Name: (9E)-2-methyl-9-(phenylmethylene)-5,6,7,8-tetrahydrocyclohepta[b]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (9E)-9-benzylidene-2-methyl-5,6,7,8-tetrahydrocyclohepta[b]pyridine-3-carboxylate Traditional Name: (9E)-9-benzal-2-methyl-5,6,7,8-tetrahydrocyclohepta[b]pyridine-3-carboxylic acid ethyl ester Formula: C21H23NO2 MolecularWeight: 321.41282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=CC3=CC=CC=C3)CCCC2)N=C1C

Isomeric SMILES

CCOC(=O)C1=CC2=C(/C(=C/C3=CC=CC=C3)/CCCC2)N=C1C

InChI

InChI=1S/C21H23NO2/c1-3-24-21(23)19-14-18-12-8-7-11-17(20(18)22-15(19)2)13-16-9-5-4-6-10-16/h4-6,9-10,13-14H,3,7-8,11-12H2,1-2H3/b17-13+