dipropan-2-yl 4-cyano-4-(2-ethylphenyl)heptanedioate

Systemtic Name: dipropan-2-yl 4-cyano-4-(2-ethylphenyl)heptanedioate Openeye Name: diisopropyl 4-cyano-4-(2-ethylphenyl)heptanedioate CAS Name: 4-cyano-4-(2-ethylphenyl)heptanedioic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 4-cyano-4-(2-ethylphenyl)heptanedioate Traditional Name: 4-cyano-4-(2-ethylphenyl)pimelic acid diisopropyl ester Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(CCC(=O)OC(C)C)(CCC(=O)OC(C)C)C#N

Isomeric SMILES

CCC1=CC=CC=C1C(CCC(=O)OC(C)C)(CCC(=O)OC(C)C)C#N

InChI

InChI=1S/C22H31NO4/c1-6-18-9-7-8-10-19(18)22(15-23,13-11-20(24)26-16(2)3)14-12-21(25)27-17(4)5/h7-10,16-17H,6,11-14H2,1-5H3