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

Systemtic Name: 4-[[1-(carboxymethyl)-5-(hexanoylamino)indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[1-(carboxymethyl)-5-(hexanoylamino)indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[1-(carboxymethyl)-5-(1-oxohexylamino)-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[1-(carboxymethyl)-5-(hexanoylamino)indol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[5-(caproylamino)-1-(carboxymethyl)indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C25H28N2O6 MolecularWeight: 452.49962

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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)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O6/c1-3-4-5-6-23(28)26-19-9-10-21-20(13-19)18(14-27(21)15-24(29)30)11-16-7-8-17(25(31)32)12-22(16)33-2/h7-10,12-14H,3-6,11,15H2,1-2H3,(H,26,28)(H,29,30)(H,31,32)