(3R)-2-[(1S)-cyclohex-3-en-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3R)-2-[(1S)-cyclohex-3-en-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3R)-2-[(1S)-cyclohex-3-ene-1-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[[(1S)-1-cyclohex-3-enyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3R)-2-[(1S)-cyclohex-3-ene-1-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[(1S)-cyclohex-3-ene-1-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C17H18NO3- MolecularWeight: 284.32972

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-]

Isomeric SMILES

C1C[C@@H](CC=C1)C(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)[O-]

InChI

InChI=1S/C17H19NO3/c19-16(12-6-2-1-3-7-12)18-11-14-9-5-4-8-13(14)10-15(18)17(20)21/h1-2,4-5,8-9,12,15H,3,6-7,10-11H2,(H,20,21)/p-1/t12-,15-/m1/s1