2-[3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-4-prop-2-enyl-cycloheptyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-4-prop-2-enyl-cycloheptyl]isoindole-1,3-dione Openeye Name: 2-[4-allyl-3-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]cycloheptyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-4-prop-2-enylcycloheptyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-4-prop-2-enylcycloheptyl]isoindole-1,3-dione Traditional Name: 2-[4-allyl-3-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]cycloheptyl]isoindoline-1,3-quinone Formula: C40H49NO3 MolecularWeight: 591.82196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CCCC2CC=C)N3C(=O)C4=CC=CC=C4C3=O)OCC5=CC=CC=C5

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CCCC2CC=C)N3C(=O)C4=CC=CC=C4C3=O)OCC5=CC=CC=C5

InChI

InChI=1S/C40H49NO3/c1-5-7-8-14-25-40(3,4)31-23-24-33(37(26-31)44-28-29-17-10-9-11-18-29)36-27-32(20-15-19-30(36)16-6-2)41-38(42)34-21-12-13-22-35(34)39(41)43/h6,9-13,17-18,21-24,26,30,32,36H,2,5,7-8,14-16,19-20,25,27-28H2,1,3-4H3