4-[[6-(hexanoylamino)-2,3-dimethyl-indol-1-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[6-(hexanoylamino)-2,3-dimethyl-indol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[6-(hexanoylamino)-2,3-dimethyl-indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[2,3-dimethyl-6-(1-oxohexylamino)-1-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[6-(hexanoylamino)-2,3-dimethylindol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[6-(caproylamino)-2,3-dimethyl-indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC2=C(C=C1)C(=C(N2CC3=C(C=C(C=C3)C(=O)O)OC)C)C

Isomeric SMILES

CCCCCC(=O)NC1=CC2=C(C=C1)C(=C(N2CC3=C(C=C(C=C3)C(=O)O)OC)C)C

InChI

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