(E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one CAS Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one Formula: C21H22ClNO3 MolecularWeight: 371.85728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)N2CCC3=CC=CC=C3C2)Cl)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)N2CCC3=CC=CC=C3C2)Cl)OC

InChI

InChI=1S/C21H22ClNO3/c1-3-26-19-13-15(12-18(22)21(19)25-2)8-9-20(24)23-11-10-16-6-4-5-7-17(16)14-23/h4-9,12-13H,3,10-11,14H2,1-2H3/b9-8+