[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 4-(oxolan-2-ylmethoxy)benzoate

Systemtic Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 4-(oxolan-2-ylmethoxy)benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 4-(tetrahydrofuran-2-ylmethoxy)benzoate CAS Name: 4-(2-oxolanylmethoxy)benzoic acid [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 4-(oxolan-2-ylmethoxy)benzoate Traditional Name: 4-(tetrahydrofurfuryloxy)benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C24H27NO5 MolecularWeight: 409.47488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=CC=C(C=C3)OCC4CCCO4

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=CC=C(C=C3)OCC4CCCO4

InChI

InChI=1S/C24H27NO5/c1-17(23(26)25-13-12-18-5-2-3-6-20(18)15-25)30-24(27)19-8-10-21(11-9-19)29-16-22-7-4-14-28-22/h2-3,5-6,8-11,17,22H,4,7,12-16H2,1H3