4-[1-[5-(hexanoylamino)-1H-indol-3-yl]-3-oxidanyl-3-oxidanylidene-propyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[1-[5-(hexanoylamino)-1H-indol-3-yl]-3-oxidanyl-3-oxidanylidene-propyl]-3-methoxy-benzoic acid Openeye Name: 4-[1-[5-(hexanoylamino)-1H-indol-3-yl]-3-hydroxy-3-oxo-propyl]-3-methoxy-benzoic acid CAS Name: 4-[3-hydroxy-3-oxo-1-[5-(1-oxohexylamino)-1H-indol-3-yl]propyl]-3-methoxybenzoic acid IUPAC Name: 4-[1-[5-(hexanoylamino)-1H-indol-3-yl]-3-hydroxy-3-oxopropyl]-3-methoxybenzoic acid Traditional Name: 4-[1-[5-(caproylamino)-1H-indol-3-yl]-3-hydroxy-3-keto-propyl]-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)NC=C2C(CC(=O)O)C3=C(C=C(C=C3)C(=O)O)OC

Isomeric SMILES

CCCCCC(=O)NC1=CC2=C(C=C1)NC=C2C(CC(=O)O)C3=C(C=C(C=C3)C(=O)O)OC

InChI

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