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

Systemtic Name: (3S)-2-pentanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3S)-2-pentanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-(1-oxopentyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3S)-2-pentanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-valeryl-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C15H18NO3- MolecularWeight: 260.30832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO3/c1-2-3-8-14(17)16-10-12-7-5-4-6-11(12)9-13(16)15(18)19/h4-7,13H,2-3,8-10H2,1H3,(H,18,19)/p-1/t13-/m0/s1