3-methoxy-4-[[5-[3-oxidanylidene-3-(propylamino)propyl]-1-propyl-indol-3-yl]methyl]benzoic acid

Systemtic Name: 3-methoxy-4-[[5-[3-oxidanylidene-3-(propylamino)propyl]-1-propyl-indol-3-yl]methyl]benzoic acid Openeye Name: 3-methoxy-4-[[5-[3-oxo-3-(propylamino)propyl]-1-propyl-indol-3-yl]methyl]benzoic acid CAS Name: 3-methoxy-4-[[5-[3-oxo-3-(propylamino)propyl]-1-propyl-3-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[5-[3-oxo-3-(propylamino)propyl]-1-propylindol-3-yl]methyl]benzoic acid Traditional Name: 4-[[5-[3-keto-3-(propylamino)propyl]-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CCC1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)O)OC)CCC

Isomeric SMILES

CCCNC(=O)CCC1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)O)OC)CCC

InChI

InChI=1S/C26H32N2O4/c1-4-12-27-25(29)11-7-18-6-10-23-22(14-18)21(17-28(23)13-5-2)15-19-8-9-20(26(30)31)16-24(19)32-3/h6,8-10,14,16-17H,4-5,7,11-13,15H2,1-3H3,(H,27,29)(H,30,31)