6-(3-nitrophenyl)-2-pentyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-7,8-dicarboxylic acid

Systemtic Name: 6-(3-nitrophenyl)-2-pentyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-7,8-dicarboxylic acid Openeye Name: 6-(3-nitrophenyl)-2-pentyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-7,8-dicarboxylic acid CAS Name: 6-(3-nitrophenyl)-2-pentyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-7,8-dicarboxylic acid IUPAC Name: 6-(3-nitrophenyl)-2-pentyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-7,8-dicarboxylic acid Traditional Name: 2-amyl-6-(3-nitrophenyl)-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-7,8-dicarboxylic acid Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCC2=CC(C(C(C2C1)C(=O)O)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCN1CCC2=CC(C(C(C2C1)C(=O)O)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N2O6/c1-2-3-4-9-23-10-8-15-12-17(14-6-5-7-16(11-14)24(29)30)19(21(25)26)20(22(27)28)18(15)13-23/h5-7,11-12,17-20H,2-4,8-10,13H2,1H3,(H,25,26)(H,27,28)