(5-methyl-2-propan-2-yl-cyclohexyl) 3-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 3-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 3-(1,3-dioxoisoindolin-2-yl)benzoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)benzoic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 3-(1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 3-phthalimidobenzoic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C25H27NO4 MolecularWeight: 405.48618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC(=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C2=CC(=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)C(C)C

InChI

InChI=1S/C25H27NO4/c1-15(2)19-12-11-16(3)13-22(19)30-25(29)17-7-6-8-18(14-17)26-23(27)20-9-4-5-10-21(20)24(26)28/h4-10,14-16,19,22H,11-13H2,1-3H3