methyl 1-(2-oxidanylidenepropyl)-3-phenyl-1H-isoquinoline-2-carboxylate

Systemtic Name: methyl 1-(2-oxidanylidenepropyl)-3-phenyl-1H-isoquinoline-2-carboxylate Openeye Name: methyl 1-acetonyl-3-phenyl-1H-isoquinoline-2-carboxylate CAS Name: 1-(2-oxopropyl)-3-phenyl-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 1-(2-oxopropyl)-3-phenyl-1H-isoquinoline-2-carboxylate Traditional Name: 1-acetonyl-3-phenyl-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C20H19NO3 MolecularWeight: 321.36976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1C2=CC=CC=C2C=C(N1C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC(=O)CC1C2=CC=CC=C2C=C(N1C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO3/c1-14(22)12-19-17-11-7-6-10-16(17)13-18(21(19)20(23)24-2)15-8-4-3-5-9-15/h3-11,13,19H,12H2,1-2H3