4-[[6-(decanoylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[6-(decanoylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[6-(decanoylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 3-methoxy-4-[[6-(1-oxodecylamino)-1-indolyl]methyl]benzoic acid IUPAC Name: 4-[[6-(decanoylamino)indol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[6-(caprylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C27H34N2O4 MolecularWeight: 450.56986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC1=CC2=C(C=C1)C=CN2CC3=C(C=C(C=C3)C(=O)O)OC

Isomeric SMILES

CCCCCCCCCC(=O)NC1=CC2=C(C=C1)C=CN2CC3=C(C=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C27H34N2O4/c1-3-4-5-6-7-8-9-10-26(30)28-23-14-13-20-15-16-29(24(20)18-23)19-22-12-11-21(27(31)32)17-25(22)33-2/h11-18H,3-10,19H2,1-2H3,(H,28,30)(H,31,32)