1-[(E)-2-cyclohexylethenyl]-6-phenylmethoxy-3,4-dihydroisoquinoline nitrate

Systemtic Name: 1-[(E)-2-cyclohexylethenyl]-6-phenylmethoxy-3,4-dihydroisoquinoline nitrate Openeye Name: 6-benzyloxy-1-[(E)-2-cyclohexylvinyl]-3,4-dihydroisoquinoline nitrate CAS Name: 1-[(E)-2-cyclohexylethenyl]-6-phenylmethoxy-3,4-dihydroisoquinoline nitrate IUPAC Name: 1-[(E)-2-cyclohexylethenyl]-6-phenylmethoxy-3,4-dihydroisoquinoline nitrate Traditional Name: 6-benzoxy-1-[(E)-2-cyclohexylvinyl]-3,4-dihydroisoquinoline nitrate Formula: C24H27N2O4- MolecularWeight: 407.48218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C=CC2=NCCC3=C2C=CC(=C3)OCC4=CC=CC=C4.[N+](=O)([O-])[O-]

Isomeric SMILES

C1CCC(CC1)/C=C/C2=NCCC3=C2C=CC(=C3)OCC4=CC=CC=C4.[N+](=O)([O-])[O-]

InChI

InChI=1S/C24H27NO.NO3/c1-3-7-19(8-4-1)11-14-24-23-13-12-22(17-21(23)15-16-25-24)26-18-20-9-5-2-6-10-20;2-1(3)4/h2,5-6,9-14,17,19H,1,3-4,7-8,15-16,18H2;/q;-1/b14-11+;