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

Systemtic Name: 3-methoxy-4-[[6-(octanoylamino)indol-1-yl]methyl]benzoic acid Openeye Name: 3-methoxy-4-[[6-(octanoylamino)indol-1-yl]methyl]benzoic acid CAS Name: 3-methoxy-4-[[6-(1-oxooctylamino)-1-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[6-(octanoylamino)indol-1-yl]methyl]benzoic acid Traditional Name: 4-[[6-(caprylylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O4/c1-3-4-5-6-7-8-24(28)26-21-12-11-18-13-14-27(22(18)16-21)17-20-10-9-19(25(29)30)15-23(20)31-2/h9-16H,3-8,17H2,1-2H3,(H,26,28)(H,29,30)