4-[[5-(hexanoylamino)-1-methyl-indol-3-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[5-(hexanoylamino)-1-methyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[5-(hexanoylamino)-1-methyl-indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 3-methoxy-4-[[1-methyl-5-(1-oxohexylamino)-3-indolyl]methyl]benzoic acid IUPAC Name: 4-[[5-(hexanoylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[5-(caproylamino)-1-methyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)O)OC)C

Isomeric SMILES

CCCCCC(=O)NC1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)O)OC)C

InChI

InChI=1S/C24H28N2O4/c1-4-5-6-7-23(27)25-19-10-11-21-20(14-19)18(15-26(21)2)12-16-8-9-17(24(28)29)13-22(16)30-3/h8-11,13-15H,4-7,12H2,1-3H3,(H,25,27)(H,28,29)