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

Systemtic Name: 3,3-dimethyl-1-[(E)-2-phenylethenyl]-6-propoxy-4H-isoquinoline; ethanedioic acid Openeye Name: 3,3-dimethyl-6-propoxy-1-[(E)-styryl]-4H-isoquinoline; oxalic acid CAS Name: 3,3-dimethyl-1-[(E)-2-phenylethenyl]-6-propoxy-4H-isoquinoline; oxalic acid IUPAC Name: 3,3-dimethyl-1-[(E)-2-phenylethenyl]-6-propoxy-4H-isoquinoline; oxalic acid Traditional Name: 3,3-dimethyl-6-propoxy-1-[(E)-styryl]-4H-isoquinoline; oxalic acid Formula: C24H27NO5 MolecularWeight: 409.47488

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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.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO.C2H2O4/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;3-1(4)2(5)6/h5-13,15H,4,14,16H2,1-3H3;(H,3,4)(H,5,6)/b13-10+;