(3S)-2-(2,2-dimethylpropyl)-3-methyl-7-oxidanyl-3,4-dihydro-1H-isoquinoline-1-carboxylate

Systemtic Name: (3S)-2-(2,2-dimethylpropyl)-3-methyl-7-oxidanyl-3,4-dihydro-1H-isoquinoline-1-carboxylate Openeye Name: (3S)-2-(2,2-dimethylpropyl)-7-hydroxy-3-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate CAS Name: (3S)-2-(2,2-dimethylpropyl)-7-hydroxy-3-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate IUPAC Name: (3S)-2-(2,2-dimethylpropyl)-7-hydroxy-3-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate Traditional Name: (3S)-7-hydroxy-3-methyl-2-neopentyl-3,4-dihydro-1H-isoquinoline-1-carboxylate Formula: C16H22NO3- MolecularWeight: 276.35078

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=C(C=C2)O)C(N1CC(C)(C)C)C(=O)[O-]

Isomeric SMILES

C[C@H]1CC2=C(C=C(C=C2)O)C(N1CC(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C16H23NO3/c1-10-7-11-5-6-12(18)8-13(11)14(15(19)20)17(10)9-16(2,3)4/h5-6,8,10,14,18H,7,9H2,1-4H3,(H,19,20)/p-1/t10-,14?/m0/s1