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

Systemtic Name: methyl 3-cyclopropyl-1-(2-oxidanylidenepropyl)-1H-isoquinoline-2-carboxylate Openeye Name: methyl 1-acetonyl-3-cyclopropyl-1H-isoquinoline-2-carboxylate CAS Name: 3-cyclopropyl-1-(2-oxopropyl)-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 3-cyclopropyl-1-(2-oxopropyl)-1H-isoquinoline-2-carboxylate Traditional Name: 1-acetonyl-3-cyclopropyl-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C17H19NO3 MolecularWeight: 285.33766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1C2=CC=CC=C2C=C(N1C(=O)OC)C3CC3

Isomeric SMILES

CC(=O)CC1C2=CC=CC=C2C=C(N1C(=O)OC)C3CC3

InChI

InChI=1S/C17H19NO3/c1-11(19)9-16-14-6-4-3-5-13(14)10-15(12-7-8-12)18(16)17(20)21-2/h3-6,10,12,16H,7-9H2,1-2H3