[4-[(Z)-2-methyl-3-[(2S)-2-methylbutoxy]-3-oxidanylidene-prop-1-enyl]phenyl] 4-pentoxybenzoate

Systemtic Name: [4-[(Z)-2-methyl-3-[(2S)-2-methylbutoxy]-3-oxidanylidene-prop-1-enyl]phenyl] 4-pentoxybenzoate Openeye Name: [4-[(Z)-2-methyl-3-[(2S)-2-methylbutoxy]-3-oxo-prop-1-enyl]phenyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid [4-[(Z)-2-methyl-3-[(2S)-2-methylbutoxy]-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(Z)-2-methyl-3-[(2S)-2-methylbutoxy]-3-oxoprop-1-enyl]phenyl] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [4-[(Z)-3-keto-2-methyl-3-[(2S)-2-methylbutoxy]prop-1-enyl]phenyl] ester Formula: C27H34O5 MolecularWeight: 438.55586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C)C(=O)OCC(C)CC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C(/C)\C(=O)OC[C@@H](C)CC

InChI

InChI=1S/C27H34O5/c1-5-7-8-17-30-24-15-11-23(12-16-24)27(29)32-25-13-9-22(10-14-25)18-21(4)26(28)31-19-20(3)6-2/h9-16,18,20H,5-8,17,19H2,1-4H3/b21-18-/t20-/m0/s1