2-methyl-7-phenyl-3,4,4a,5,6,7-hexahydro-1H-isoquinoline-5,6-dicarboxylic acid

Systemtic Name: 2-methyl-7-phenyl-3,4,4a,5,6,7-hexahydro-1H-isoquinoline-5,6-dicarboxylic acid Openeye Name: 2-methyl-7-phenyl-3,4,4a,5,6,7-hexahydro-1H-isoquinoline-5,6-dicarboxylic acid CAS Name: 2-methyl-7-phenyl-3,4,4a,5,6,7-hexahydro-1H-isoquinoline-5,6-dicarboxylic acid IUPAC Name: 2-methyl-7-phenyl-3,4,4a,5,6,7-hexahydro-1H-isoquinoline-5,6-dicarboxylic acid Traditional Name: 2-methyl-7-phenyl-3,4,4a,5,6,7-hexahydro-1H-isoquinoline-5,6-dicarboxylic acid Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2C(C(C(C=C2C1)C3=CC=CC=C3)C(=O)O)C(=O)O

Isomeric SMILES

CN1CCC2C(C(C(C=C2C1)C3=CC=CC=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C18H21NO4/c1-19-8-7-13-12(10-19)9-14(11-5-3-2-4-6-11)16(18(22)23)15(13)17(20)21/h2-6,9,13-16H,7-8,10H2,1H3,(H,20,21)(H,22,23)