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

Systemtic Name: 3,3-dimethyl-1-[(E)-2-phenylethenyl]-6-propoxy-4H-isoquinoline Openeye Name: 3,3-dimethyl-6-propoxy-1-[(E)-styryl]-4H-isoquinoline CAS Name: 3,3-dimethyl-1-[(E)-2-phenylethenyl]-6-propoxy-4H-isoquinoline IUPAC Name: 3,3-dimethyl-1-[(E)-2-phenylethenyl]-6-propoxy-4H-isoquinoline Traditional Name: 3,3-dimethyl-6-propoxy-1-[(E)-styryl]-4H-isoquinoline Formula: C22H25NO MolecularWeight: 319.44

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)C(=NC(C2)(C)C)C=CC3=CC=CC=C3

Isomeric SMILES

CCCOC1=CC2=C(C=C1)C(=NC(C2)(C)C)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H25NO/c1-4-14-24-19-11-12-20-18(15-19)16-22(2,3)23-21(20)13-10-17-8-6-5-7-9-17/h5-13,15H,4,14,16H2,1-3H3/b13-10+