methyl 3-methyl-1-[(E)-2-methyl-4-oxidanylidene-pent-2-enyl]-1H-isoquinoline-2-carboxylate

Systemtic Name: methyl 3-methyl-1-[(E)-2-methyl-4-oxidanylidene-pent-2-enyl]-1H-isoquinoline-2-carboxylate Openeye Name: methyl 3-methyl-1-[(E)-2-methyl-4-oxo-pent-2-enyl]-1H-isoquinoline-2-carboxylate CAS Name: 3-methyl-1-[(E)-2-methyl-4-oxopent-2-enyl]-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 3-methyl-1-[(E)-2-methyl-4-oxopent-2-enyl]-1H-isoquinoline-2-carboxylate Traditional Name: 1-[(E)-4-keto-2-methyl-pent-2-enyl]-3-methyl-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C(N1C(=O)OC)CC(=CC(=O)C)C

Isomeric SMILES

CC1=CC2=CC=CC=C2C(N1C(=O)OC)C/C(=C/C(=O)C)/C

InChI

InChI=1S/C18H21NO3/c1-12(9-14(3)20)10-17-16-8-6-5-7-15(16)11-13(2)19(17)18(21)22-4/h5-9,11,17H,10H2,1-4H3/b12-9+