(3R)-2-(2-cyclopentylethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3R)-2-(2-cyclopentylethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3R)-2-(2-cyclopentylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-(2-cyclopentyl-1-oxoethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3R)-2-(2-cyclopentylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-(2-cyclopentylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C17H20NO3- MolecularWeight: 286.3456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-]

Isomeric SMILES

C1CCC(C1)CC(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)[O-]

InChI

InChI=1S/C17H21NO3/c19-16(9-12-5-1-2-6-12)18-11-14-8-4-3-7-13(14)10-15(18)17(20)21/h3-4,7-8,12,15H,1-2,5-6,9-11H2,(H,20,21)/p-1/t15-/m1/s1