6-(4-cyanophenyl)-2-methoxycarbonyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 6-(4-cyanophenyl)-2-methoxycarbonyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 6-(4-cyanophenyl)-2-methoxycarbonyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline-3-carboxylic acid CAS Name: 6-(4-cyanophenyl)-2-methoxycarbonyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 6-(4-cyanophenyl)-2-methoxycarbonyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-carbomethoxy-6-(4-cyanophenyl)-3,4,5,6,7,8-hexahydro-1H-isoquinoline-3-carboxylic acid Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CC2=C(CC(CC2)C3=CC=C(C=C3)C#N)CC1C(=O)O

Isomeric SMILES

COC(=O)N1CC2=C(CC(CC2)C3=CC=C(C=C3)C#N)CC1C(=O)O

InChI

InChI=1S/C19H20N2O4/c1-25-19(24)21-11-15-7-6-14(8-16(15)9-17(21)18(22)23)13-4-2-12(10-20)3-5-13/h2-5,14,17H,6-9,11H2,1H3,(H,22,23)