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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 4-isobutoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(2-methylpropoxy)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] 3-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxy-3-methoxy-benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C23H27NO5 MolecularWeight: 397.46418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2)OC

InChI

InChI=1S/C23H27NO5/c1-16(2)14-28-20-9-8-18(12-21(20)27-3)23(26)29-15-22(25)24-11-10-17-6-4-5-7-19(17)13-24/h4-9,12,16H,10-11,13-15H2,1-3H3