3-butyl-2-methoxycarbonyl-5-phenylmethoxy-benzoic acid

Systemtic Name: 3-butyl-2-methoxycarbonyl-5-phenylmethoxy-benzoic acid Openeye Name: 5-benzyloxy-3-butyl-2-methoxycarbonyl-benzoic acid CAS Name: 3-butyl-2-methoxycarbonyl-5-phenylmethoxybenzoic acid IUPAC Name: 3-butyl-2-methoxycarbonyl-5-phenylmethoxybenzoic acid Traditional Name: 5-benzoxy-3-butyl-2-carbomethoxy-benzoic acid Formula: C20H22O5 MolecularWeight: 342.38568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC(=C1)OCC2=CC=CC=C2)C(=O)O)C(=O)OC

Isomeric SMILES

CCCCC1=C(C(=CC(=C1)OCC2=CC=CC=C2)C(=O)O)C(=O)OC

InChI

InChI=1S/C20H22O5/c1-3-4-10-15-11-16(25-13-14-8-6-5-7-9-14)12-17(19(21)22)18(15)20(23)24-2/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,21,22)