heptyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate

Systemtic Name: heptyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate Openeye Name: heptyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate CAS Name: 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid heptyl ester IUPAC Name: heptyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate Traditional Name: 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid heptyl ester Formula: C21H31NO2 MolecularWeight: 329.47634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(CCN(C1)CC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCOC(=O)C1=C(CCN(C1)CC)C2=CC=CC=C2

InChI

InChI=1S/C21H31NO2/c1-3-5-6-7-11-16-24-21(23)20-17-22(4-2)15-14-19(20)18-12-9-8-10-13-18/h8-10,12-13H,3-7,11,14-17H2,1-2H3