ethyl 4-[3-(cyclohexen-1-yl)isoquinolin-4-yl]benzoate

Systemtic Name: ethyl 4-[3-(cyclohexen-1-yl)isoquinolin-4-yl]benzoate Openeye Name: ethyl 4-[3-(cyclohexen-1-yl)-4-isoquinolyl]benzoate CAS Name: 4-[3-(1-cyclohexenyl)-4-isoquinolinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(cyclohexen-1-yl)isoquinolin-4-yl]benzoate Traditional Name: 4-[3-(cyclohexen-1-yl)-4-isoquinolyl]benzoic acid ethyl ester Formula: C24H23NO2 MolecularWeight: 357.44492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=C(N=CC3=CC=CC=C32)C4=CCCCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=C(N=CC3=CC=CC=C32)C4=CCCCC4

InChI

InChI=1S/C24H23NO2/c1-2-27-24(26)19-14-12-17(13-15-19)22-21-11-7-6-10-20(21)16-25-23(22)18-8-4-3-5-9-18/h6-8,10-16H,2-5,9H2,1H3