4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(E)-(3-methoxy-4-prop-2-enoxy-phenyl)methylideneamino]benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(E)-(3-methoxy-4-prop-2-enoxy-phenyl)methylideneamino]benzamide Openeye Name: N-[(E)-(4-allyloxy-3-methoxy-phenyl)methyleneamino]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide Traditional Name: N-[(E)-(4-allyloxy-3-methoxy-benzylidene)amino]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3)OCC=C

InChI

InChI=1S/C28H29N3O3/c1-3-16-34-26-13-10-22(17-27(26)33-2)18-29-30-28(32)24-11-8-21(9-12-24)19-31-15-14-23-6-4-5-7-25(23)20-31/h3-13,17-18H,1,14-16,19-20H2,2H3,(H,30,32)/b29-18+