1-[(Z)-1-bromanyl-2-phenyl-ethenyl]-6-butoxy-3,4-dihydroisoquinoline; ethanedioic acid

Systemtic Name: 1-[(Z)-1-bromanyl-2-phenyl-ethenyl]-6-butoxy-3,4-dihydroisoquinoline; ethanedioic acid Openeye Name: 1-[(Z)-1-bromo-2-phenyl-vinyl]-6-butoxy-3,4-dihydroisoquinoline; oxalic acid CAS Name: 1-[(Z)-1-bromo-2-phenylethenyl]-6-butoxy-3,4-dihydroisoquinoline; oxalic acid IUPAC Name: 1-[(Z)-1-bromo-2-phenylethenyl]-6-butoxy-3,4-dihydroisoquinoline; oxalic acid Traditional Name: 1-[(Z)-1-bromo-2-phenyl-vinyl]-6-butoxy-3,4-dihydroisoquinoline; oxalic acid Formula: C23H24BrNO5 MolecularWeight: 474.34436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C(=NCC2)C(=CC3=CC=CC=C3)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C(=NCC2)/C(=C/C3=CC=CC=C3)/Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H22BrNO.C2H2O4/c1-2-3-13-24-18-9-10-19-17(15-18)11-12-23-21(19)20(22)14-16-7-5-4-6-8-16;3-1(4)2(5)6/h4-10,14-15H,2-3,11-13H2,1H3;(H,3,4)(H,5,6)/b20-14-;