2-(phenylmethyl)-6-(3-propan-2-ylphenyl)-3,4,6,8a-tetrahydro-1H-isoquinoline-7,8-dicarboxylate

Systemtic Name: 2-(phenylmethyl)-6-(3-propan-2-ylphenyl)-3,4,6,8a-tetrahydro-1H-isoquinoline-7,8-dicarboxylate Openeye Name: 2-benzyl-6-(3-isopropylphenyl)-3,4,6,8a-tetrahydro-1H-isoquinoline-7,8-dicarboxylate CAS Name: 2-(phenylmethyl)-6-(3-propan-2-ylphenyl)-3,4,6,8a-tetrahydro-1H-isoquinoline-7,8-dicarboxylate IUPAC Name: 2-benzyl-6-(3-propan-2-ylphenyl)-3,4,6,8a-tetrahydro-1H-isoquinoline-7,8-dicarboxylate Traditional Name: 2-benzyl-6-m-cumenyl-3,4,6,8a-tetrahydro-1H-isoquinoline-7,8-dicarboxylate Formula: C27H27NO4-2 MolecularWeight: 429.50758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC(=C1)C2C=C3CCN(CC3C(=C2C(=O)[O-])C(=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=CC(=C1)C2C=C3CCN(CC3C(=C2C(=O)[O-])C(=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C27H29NO4/c1-17(2)19-9-6-10-20(13-19)22-14-21-11-12-28(15-18-7-4-3-5-8-18)16-23(21)25(27(31)32)24(22)26(29)30/h3-10,13-14,17,22-23H,11-12,15-16H2,1-2H3,(H,29,30)(H,31,32)/p-2