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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OCC2=CC=C(C=C2)C=CC(=O)OCC(C)CC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OCC2=CC=C(C=C2)/C=C/C(=O)OCC(C)CC

InChI

InChI=1S/C27H34O5/c1-4-6-7-18-30-25-15-13-24(14-16-25)27(29)32-20-23-10-8-22(9-11-23)12-17-26(28)31-19-21(3)5-2/h8-17,21H,4-7,18-20H2,1-3H3/b17-12+