methyl 4-[(E)-3-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)oct-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)oct-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)oct-1-enyl]benzoate CAS Name: 4-[(E)-3-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)oct-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)oct-1-enyl]benzoate Traditional Name: 4-[(E)-3-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)oct-1-enyl]benzoic acid methyl ester Formula: C27H35NO2 MolecularWeight: 405.5723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1=CC=C(C=C1)C(=O)OC)C2=CC3=C(C=C2)C(CCN3)(C)C

Isomeric SMILES

CCCCCC(/C=C/C1=CC=C(C=C1)C(=O)OC)C2=CC3=C(C=C2)C(CCN3)(C)C

InChI

InChI=1S/C27H35NO2/c1-5-6-7-8-21(12-9-20-10-13-22(14-11-20)26(29)30-4)23-15-16-24-25(19-23)28-18-17-27(24,2)3/h9-16,19,21,28H,5-8,17-18H2,1-4H3/b12-9+