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

Systemtic Name: (3S)-2-(4-methylpentanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3S)-2-(4-methylpentanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-(4-methyl-1-oxopentyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3S)-2-(4-methylpentanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-(4-methylpentanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C16H20NO3- MolecularWeight: 274.3349

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3/c1-11(2)7-8-15(18)17-10-13-6-4-3-5-12(13)9-14(17)16(19)20/h3-6,11,14H,7-10H2,1-2H3,(H,19,20)/p-1/t14-/m0/s1