2-[3-(2,2-dimethyloxan-4-yl)-6-methyl-heptyl]-1,3-dihydroisoindole; ethanedioic acid

Systemtic Name: 2-[3-(2,2-dimethyloxan-4-yl)-6-methyl-heptyl]-1,3-dihydroisoindole; ethanedioic acid Openeye Name: 2-[3-(2,2-dimethyltetrahydropyran-4-yl)-6-methyl-heptyl]isoindoline; oxalic acid CAS Name: 2-[3-(2,2-dimethyl-4-oxanyl)-6-methylheptyl]-1,3-dihydroisoindole; oxalic acid IUPAC Name: 2-[3-(2,2-dimethyloxan-4-yl)-6-methylheptyl]-1,3-dihydroisoindole; oxalic acid Traditional Name: 2-[3-(2,2-dimethyltetrahydropyran-4-yl)-6-methyl-heptyl]isoindoline; oxalic acid Formula: C25H39NO5 MolecularWeight: 433.58086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CCN1CC2=CC=CC=C2C1)C3CCOC(C3)(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)CCC(CCN1CC2=CC=CC=C2C1)C3CCOC(C3)(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H37NO.C2H2O4/c1-18(2)9-10-19(20-12-14-25-23(3,4)15-20)11-13-24-16-21-7-5-6-8-22(21)17-24;3-1(4)2(5)6/h5-8,18-20H,9-17H2,1-4H3;(H,3,4)(H,5,6)