4-[7-(dimethylamino)-7-oxidanylidene-heptan-3-yl]-2-(1H-indol-3-ylmethyl)-3-methoxy-benzoic acid

Systemtic Name: 4-[7-(dimethylamino)-7-oxidanylidene-heptan-3-yl]-2-(1H-indol-3-ylmethyl)-3-methoxy-benzoic acid Openeye Name: 4-[5-(dimethylamino)-1-ethyl-5-oxo-pentyl]-2-(1H-indol-3-ylmethyl)-3-methoxy-benzoic acid CAS Name: 4-[7-(dimethylamino)-7-oxoheptan-3-yl]-2-(1H-indol-3-ylmethyl)-3-methoxybenzoic acid IUPAC Name: 4-[7-(dimethylamino)-7-oxoheptan-3-yl]-2-(1H-indol-3-ylmethyl)-3-methoxybenzoic acid Traditional Name: 4-[5-(dimethylamino)-1-ethyl-5-keto-pentyl]-2-(1H-indol-3-ylmethyl)-3-methoxy-benzoic acid Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCC(=O)N(C)C)C1=C(C(=C(C=C1)C(=O)O)CC2=CNC3=CC=CC=C32)OC

Isomeric SMILES

CCC(CCCC(=O)N(C)C)C1=C(C(=C(C=C1)C(=O)O)CC2=CNC3=CC=CC=C32)OC

InChI

InChI=1S/C26H32N2O4/c1-5-17(9-8-12-24(29)28(2)3)20-13-14-21(26(30)31)22(25(20)32-4)15-18-16-27-23-11-7-6-10-19(18)23/h6-7,10-11,13-14,16-17,27H,5,8-9,12,15H2,1-4H3,(H,30,31)