(E)-but-2-enedioic acid; 6-butoxy-1-[(E)-2-phenylethenyl]-3,4-dihydroisoquinoline

Systemtic Name: (E)-but-2-enedioic acid; 6-butoxy-1-[(E)-2-phenylethenyl]-3,4-dihydroisoquinoline Openeye Name: 6-butoxy-1-[(E)-styryl]-3,4-dihydroisoquinoline; fumaric acid CAS Name: (E)-2-butenedioic acid; 6-butoxy-1-[(E)-2-phenylethenyl]-3,4-dihydroisoquinoline IUPAC Name: (E)-but-2-enedioic acid; 6-butoxy-1-[(E)-2-phenylethenyl]-3,4-dihydroisoquinoline Traditional Name: 6-butoxy-1-[(E)-styryl]-3,4-dihydroisoquinoline; fumaric acid Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO.C4H4O4/c1-2-3-15-23-19-10-11-20-18(16-19)13-14-22-21(20)12-9-17-7-5-4-6-8-17;5-3(6)1-2-4(7)8/h4-12,16H,2-3,13-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b12-9+;2-1+