3-heptoxybutan-2-yl 4-(4-pentylcyclohexyl)benzoate

Systemtic Name: 3-heptoxybutan-2-yl 4-(4-pentylcyclohexyl)benzoate Openeye Name: (2-heptoxy-1-methyl-propyl) 4-(4-pentylcyclohexyl)benzoate CAS Name: 4-(4-pentylcyclohexyl)benzoic acid 3-heptoxybutan-2-yl ester IUPAC Name: 3-heptoxybutan-2-yl 4-(4-pentylcyclohexyl)benzoate Traditional Name: 4-(4-amylcyclohexyl)benzoic acid (2-heptoxy-1-methyl-propyl) ester Formula: C29H48O3 MolecularWeight: 444.68962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(C)C(C)OC(=O)C1=CC=C(C=C1)C2CCC(CC2)CCCCC

Isomeric SMILES

CCCCCCCOC(C)C(C)OC(=O)C1=CC=C(C=C1)C2CCC(CC2)CCCCC

InChI

InChI=1S/C29H48O3/c1-5-7-9-10-12-22-31-23(3)24(4)32-29(30)28-20-18-27(19-21-28)26-16-14-25(15-17-26)13-11-8-6-2/h18-21,23-26H,5-17,22H2,1-4H3