(phenylmethyl) 5-[(E)-2-ethoxycarbonyl-3-methyl-but-1-enyl]-2-methoxy-benzoate

Systemtic Name: (phenylmethyl) 5-[(E)-2-ethoxycarbonyl-3-methyl-but-1-enyl]-2-methoxy-benzoate Openeye Name: benzyl 5-[(E)-2-ethoxycarbonyl-3-methyl-but-1-enyl]-2-methoxy-benzoate CAS Name: 5-[(E)-2-ethoxycarbonyl-3-methylbut-1-enyl]-2-methoxybenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(E)-2-ethoxycarbonyl-3-methylbut-1-enyl]-2-methoxybenzoate Traditional Name: 5-[(E)-2-carbethoxy-3-methyl-but-1-enyl]-2-methoxy-benzoic acid benzyl ester Formula: C23H26O5 MolecularWeight: 382.44954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=C(C=C1)OC)C(=O)OCC2=CC=CC=C2)C(C)C

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=C(C=C1)OC)C(=O)OCC2=CC=CC=C2)/C(C)C

InChI

InChI=1S/C23H26O5/c1-5-27-22(24)19(16(2)3)13-18-11-12-21(26-4)20(14-18)23(25)28-15-17-9-7-6-8-10-17/h6-14,16H,5,15H2,1-4H3/b19-13+