6-heptoxy-3,3-dimethyl-1-[(E)-2-phenylethenyl]-4H-isoquinoline

Systemtic Name: 6-heptoxy-3,3-dimethyl-1-[(E)-2-phenylethenyl]-4H-isoquinoline Openeye Name: 6-heptoxy-3,3-dimethyl-1-[(E)-styryl]-4H-isoquinoline CAS Name: 6-heptoxy-3,3-dimethyl-1-[(E)-2-phenylethenyl]-4H-isoquinoline IUPAC Name: 6-heptoxy-3,3-dimethyl-1-[(E)-2-phenylethenyl]-4H-isoquinoline Traditional Name: 6-heptoxy-3,3-dimethyl-1-[(E)-styryl]-4H-isoquinoline Formula: C26H33NO MolecularWeight: 375.54632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC2=C(C=C1)C(=NC(C2)(C)C)C=CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC2=C(C=C1)C(=NC(C2)(C)C)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C26H33NO/c1-4-5-6-7-11-18-28-23-15-16-24-22(19-23)20-26(2,3)27-25(24)17-14-21-12-9-8-10-13-21/h8-10,12-17,19H,4-7,11,18,20H2,1-3H3/b17-14+