3-methoxy-4-[[6-[(8-oxidanyl-8-oxidanylidene-octanoyl)amino]indol-1-yl]methyl]benzoic acid

Systemtic Name: 3-methoxy-4-[[6-[(8-oxidanyl-8-oxidanylidene-octanoyl)amino]indol-1-yl]methyl]benzoic acid Openeye Name: 4-[[6-[(8-hydroxy-8-oxo-octanoyl)amino]indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[6-[(8-hydroxy-1,8-dioxooctyl)amino]-1-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[6-[(8-hydroxy-8-oxooctanoyl)amino]indol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[6-[(8-hydroxy-8-keto-octanoyl)amino]indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C25H28N2O6 MolecularWeight: 452.49962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)CN2C=CC3=C2C=C(C=C3)NC(=O)CCCCCCC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CN2C=CC3=C2C=C(C=C3)NC(=O)CCCCCCC(=O)O

InChI

InChI=1S/C25H28N2O6/c1-33-22-14-18(25(31)32)8-9-19(22)16-27-13-12-17-10-11-20(15-21(17)27)26-23(28)6-4-2-3-5-7-24(29)30/h8-15H,2-7,16H2,1H3,(H,26,28)(H,29,30)(H,31,32)