3-[(E)-2-cyano-3-phenyl-prop-2-enoyl]oxybutan-2-yl nonanoate

Systemtic Name: 3-[(E)-2-cyano-3-phenyl-prop-2-enoyl]oxybutan-2-yl nonanoate Openeye Name: [2-[(E)-2-cyano-3-phenyl-prop-2-enoyl]oxy-1-methyl-propyl] nonanoate CAS Name: nonanoic acid 3-[(E)-2-cyano-1-oxo-3-phenylprop-2-enoxy]butan-2-yl ester IUPAC Name: 3-[(E)-2-cyano-3-phenylprop-2-enoyl]oxybutan-2-yl nonanoate Traditional Name: pelargonic acid [2-[(E)-2-cyano-3-phenyl-acryloyl]oxy-1-methyl-propyl] ester Formula: C23H31NO4 MolecularWeight: 385.49654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC(C)C(C)OC(=O)C(=CC1=CC=CC=C1)C#N

Isomeric SMILES

CCCCCCCCC(=O)OC(C)C(C)OC(=O)/C(=C/C1=CC=CC=C1)/C#N

InChI

InChI=1S/C23H31NO4/c1-4-5-6-7-8-12-15-22(25)27-18(2)19(3)28-23(26)21(17-24)16-20-13-10-9-11-14-20/h9-11,13-14,16,18-19H,4-8,12,15H2,1-3H3/b21-16+