(phenylmethyl) 8-methyl-1-(2-oxidanylidenepropyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 8-methyl-1-(2-oxidanylidenepropyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 1-acetonyl-8-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 8-methyl-1-(2-oxopropyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 8-methyl-1-(2-oxopropyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-acetonyl-8-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C(N(CC2)C(=O)OCC3=CC=CC=C3)CC(=O)C

Isomeric SMILES

CC1=CC=CC2=C1C(N(CC2)C(=O)OCC3=CC=CC=C3)CC(=O)C

InChI

InChI=1S/C21H23NO3/c1-15-7-6-10-18-11-12-22(19(20(15)18)13-16(2)23)21(24)25-14-17-8-4-3-5-9-17/h3-10,19H,11-14H2,1-2H3