nonan-2-yl 3-phenylpropanoate

Systemtic Name: nonan-2-yl 3-phenylpropanoate Openeye Name: 1-methyloctyl 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid nonan-2-yl ester IUPAC Name: nonan-2-yl 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid 1-methyloctyl ester Formula: C18H28O2 MolecularWeight: 276.41372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C)OC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCC(C)OC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C18H28O2/c1-3-4-5-6-8-11-16(2)20-18(19)15-14-17-12-9-7-10-13-17/h7,9-10,12-13,16H,3-6,8,11,14-15H2,1-2H3