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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3,3-diphenylpropanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 3,3-diphenylpropanoate CAS Name: 3,3-diphenylpropanoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3,3-diphenylpropanoate Traditional Name: 3,3-diphenylpropionic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C26H25NO3 MolecularWeight: 399.4816

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H25NO3/c28-25(27-16-15-20-9-7-8-14-23(20)18-27)19-30-26(29)17-24(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-14,24H,15-19H2