(3S)-2-(3-methylbut-2-enoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3S)-2-(3-methylbut-2-enoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3S)-2-(3-methylbut-2-enoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-(3-methyl-1-oxobut-2-enyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3S)-2-(3-methylbut-2-enoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-(3-methylbut-2-enoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C15H16NO3- MolecularWeight: 258.29244

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C

Isomeric SMILES

CC(=CC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)[O-])C

InChI

InChI=1S/C15H17NO3/c1-10(2)7-14(17)16-9-12-6-4-3-5-11(12)8-13(16)15(18)19/h3-7,13H,8-9H2,1-2H3,(H,18,19)/p-1/t13-/m0/s1