butyl (E)-3-[3-(cyclohexen-1-yl)isoquinolin-4-yl]prop-2-enoate

Systemtic Name: butyl (E)-3-[3-(cyclohexen-1-yl)isoquinolin-4-yl]prop-2-enoate Openeye Name: butyl (E)-3-[3-(cyclohexen-1-yl)-4-isoquinolyl]prop-2-enoate CAS Name: (E)-3-[3-(1-cyclohexenyl)-4-isoquinolinyl]-2-propenoic acid butyl ester IUPAC Name: butyl (E)-3-[3-(cyclohexen-1-yl)isoquinolin-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(cyclohexen-1-yl)-4-isoquinolyl]acrylic acid butyl ester Formula: C22H25NO2 MolecularWeight: 335.4394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C=CC1=C(N=CC2=CC=CC=C21)C3=CCCCC3

Isomeric SMILES

CCCCOC(=O)/C=C/C1=C(N=CC2=CC=CC=C21)C3=CCCCC3

InChI

InChI=1S/C22H25NO2/c1-2-3-15-25-21(24)14-13-20-19-12-8-7-11-18(19)16-23-22(20)17-9-5-4-6-10-17/h7-9,11-14,16H,2-6,10,15H2,1H3/b14-13+