methyl 2-methyl-2-(4-methylpent-3-enyl)-5-oxidanyl-7-propyl-chromene-6-carboxylate

Systemtic Name: methyl 2-methyl-2-(4-methylpent-3-enyl)-5-oxidanyl-7-propyl-chromene-6-carboxylate Openeye Name: methyl 5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-propyl-chromene-6-carboxylate CAS Name: 5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-propyl-1-benzopyran-6-carboxylic acid methyl ester IUPAC Name: methyl 5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-propylchromene-6-carboxylate Traditional Name: 5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-propyl-chromene-6-carboxylic acid methyl ester Formula: C21H28O4 MolecularWeight: 344.44462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=CC(O2)(C)CCC=C(C)C)C(=C1C(=O)OC)O

Isomeric SMILES

CCCC1=CC2=C(C=CC(O2)(C)CCC=C(C)C)C(=C1C(=O)OC)O

InChI

InChI=1S/C21H28O4/c1-6-8-15-13-17-16(19(22)18(15)20(23)24-5)10-12-21(4,25-17)11-7-9-14(2)3/h9-10,12-13,22H,6-8,11H2,1-5H3