6-(dimethylamino)-3,4,5-trimethoxy-6-(1-phenylbutyl)cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 6-(dimethylamino)-3,4,5-trimethoxy-6-(1-phenylbutyl)cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 6-(dimethylamino)-3,4,5-trimethoxy-6-(1-phenylbutyl)cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 6-(dimethylamino)-3,4,5-trimethoxy-6-(1-phenylbutyl)-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 6-(dimethylamino)-3,4,5-trimethoxy-6-(1-phenylbutyl)cyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 6-(dimethylamino)-3,4,5-trimethoxy-6-(1-phenylbutyl)cyclohexa-2,4-diene-1-carboxylic acid Formula: C22H31NO5 MolecularWeight: 389.48524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)C2(C(C=C(C(=C2OC)OC)OC)C(=O)O)N(C)C

Isomeric SMILES

CCCC(C1=CC=CC=C1)C2(C(C=C(C(=C2OC)OC)OC)C(=O)O)N(C)C

InChI

InChI=1S/C22H31NO5/c1-7-11-16(15-12-9-8-10-13-15)22(23(2)3)17(21(24)25)14-18(26-4)19(27-5)20(22)28-6/h8-10,12-14,16-17H,7,11H2,1-6H3,(H,24,25)