2-methoxycarbonyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline-3-carboxylate

Systemtic Name: 2-methoxycarbonyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline-3-carboxylate Openeye Name: 2-methoxycarbonyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline-3-carboxylate CAS Name: 2-methoxycarbonyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline-3-carboxylate IUPAC Name: 2-methoxycarbonyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-carbomethoxy-3,4,5,6,7,8-hexahydro-1H-isoquinoline-3-carboxylate Formula: C12H16NO4- MolecularWeight: 238.25974

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CC2=C(CCCC2)CC1C(=O)[O-]

Isomeric SMILES

COC(=O)N1CC2=C(CCCC2)CC1C(=O)[O-]

InChI

InChI=1S/C12H17NO4/c1-17-12(16)13-7-9-5-3-2-4-8(9)6-10(13)11(14)15/h10H,2-7H2,1H3,(H,14,15)/p-1