2-methoxycarbonyl-3,4-dihydro-1H-isoquinoline-1-carboxylate

Systemtic Name: 2-methoxycarbonyl-3,4-dihydro-1H-isoquinoline-1-carboxylate Openeye Name: 2-methoxycarbonyl-3,4-dihydro-1H-isoquinoline-1-carboxylate CAS Name: 2-methoxycarbonyl-3,4-dihydro-1H-isoquinoline-1-carboxylate IUPAC Name: 2-methoxycarbonyl-3,4-dihydro-1H-isoquinoline-1-carboxylate Traditional Name: 2-carbomethoxy-3,4-dihydro-1H-isoquinoline-1-carboxylate Formula: C12H12NO4- MolecularWeight: 234.22798

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]

Isomeric SMILES

COC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]

InChI

InChI=1S/C12H13NO4/c1-17-12(16)13-7-6-8-4-2-3-5-9(8)10(13)11(14)15/h2-5,10H,6-7H2,1H3,(H,14,15)/p-1