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

Systemtic Name: methyl (9E)-2-methyl-9-(phenylmethylidene)-5,6,7,8-tetrahydrocyclohepta[b]pyridine-3-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C20H21NO2 MolecularWeight: 307.38624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(CCCCC2=CC3=CC=CC=C3)C=C1C(=O)OC

Isomeric SMILES

CC1=NC\2=C(CCCC/C2=C\C3=CC=CC=C3)C=C1C(=O)OC

InChI

InChI=1S/C20H21NO2/c1-14-18(20(22)23-2)13-17-11-7-6-10-16(19(17)21-14)12-15-8-4-3-5-9-15/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3/b16-12+