4-methoxy-3-(3-methylbutyl)-2-oxidanyl-6-phenethyl-benzoic acid

Systemtic Name: 4-methoxy-3-(3-methylbutyl)-2-oxidanyl-6-phenethyl-benzoic acid Openeye Name: 2-hydroxy-3-isopentyl-4-methoxy-6-phenethyl-benzoic acid CAS Name: 2-hydroxy-4-methoxy-3-(3-methylbutyl)-6-phenethylbenzoic acid IUPAC Name: 2-hydroxy-4-methoxy-3-(3-methylbutyl)-6-phenethylbenzoic acid Traditional Name: 2-hydroxy-3-isoamyl-4-methoxy-6-phenethyl-benzoic acid Formula: C21H26O4 MolecularWeight: 342.42874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(C=C(C(=C1O)C(=O)O)CCC2=CC=CC=C2)OC

Isomeric SMILES

CC(C)CCC1=C(C=C(C(=C1O)C(=O)O)CCC2=CC=CC=C2)OC

InChI

InChI=1S/C21H26O4/c1-14(2)9-12-17-18(25-3)13-16(19(20(17)22)21(23)24)11-10-15-7-5-4-6-8-15/h4-8,13-14,22H,9-12H2,1-3H3,(H,23,24)