[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 4-propan-2-ylbenzoate

Systemtic Name: [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 4-propan-2-ylbenzoate Openeye Name: [(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic acid [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid [(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H25NO3 MolecularWeight: 351.4388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C22H25NO3/c1-15(2)17-8-10-19(11-9-17)22(25)26-16(3)21(24)23-13-12-18-6-4-5-7-20(18)14-23/h4-11,15-16H,12-14H2,1-3H3/t16-/m0/s1