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

Systemtic Name: 6-butoxy-3,3-dimethyl-1-[(E)-2-phenylethenyl]-4H-isoquinoline Openeye Name: 6-butoxy-3,3-dimethyl-1-[(E)-styryl]-4H-isoquinoline CAS Name: 6-butoxy-3,3-dimethyl-1-[(E)-2-phenylethenyl]-4H-isoquinoline IUPAC Name: 6-butoxy-3,3-dimethyl-1-[(E)-2-phenylethenyl]-4H-isoquinoline Traditional Name: 6-butoxy-3,3-dimethyl-1-[(E)-styryl]-4H-isoquinoline Formula: C23H27NO MolecularWeight: 333.46658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C(=NC(C2)(C)C)C=CC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C(=NC(C2)(C)C)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H27NO/c1-4-5-15-25-20-12-13-21-19(16-20)17-23(2,3)24-22(21)14-11-18-9-7-6-8-10-18/h6-14,16H,4-5,15,17H2,1-3H3/b14-11+