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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-(oxolan-2-ylmethoxy)benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 4-(tetrahydrofuran-2-ylmethoxy)benzoate CAS Name: 4-(2-oxolanylmethoxy)benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate Traditional Name: 4-(tetrahydrofurfuryloxy)benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC2=CC=C(C=C2)C(=O)OCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CC(OC1)COC2=CC=C(C=C2)C(=O)OCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H25NO5/c25-22(24-12-11-17-4-1-2-5-19(17)14-24)16-29-23(26)18-7-9-20(10-8-18)28-15-21-6-3-13-27-21/h1-2,4-5,7-10,21H,3,6,11-16H2