3-methoxy-4-[[5-[2-methyl-3-oxidanylidene-3-(propylamino)propyl]-1-propyl-indol-3-yl]methyl]benzoic acid

Systemtic Name: 3-methoxy-4-[[5-[2-methyl-3-oxidanylidene-3-(propylamino)propyl]-1-propyl-indol-3-yl]methyl]benzoic acid Openeye Name: 3-methoxy-4-[[5-[2-methyl-3-oxo-3-(propylamino)propyl]-1-propyl-indol-3-yl]methyl]benzoic acid CAS Name: 3-methoxy-4-[[5-[2-methyl-3-oxo-3-(propylamino)propyl]-1-propyl-3-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[5-[2-methyl-3-oxo-3-(propylamino)propyl]-1-propylindol-3-yl]methyl]benzoic acid Traditional Name: 4-[[5-[3-keto-2-methyl-3-(propylamino)propyl]-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)CC1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)O)OC)CCC

Isomeric SMILES

CCCNC(=O)C(C)CC1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)O)OC)CCC

InChI

InChI=1S/C27H34N2O4/c1-5-11-28-26(30)18(3)13-19-7-10-24-23(14-19)22(17-29(24)12-6-2)15-20-8-9-21(27(31)32)16-25(20)33-4/h7-10,14,16-18H,5-6,11-13,15H2,1-4H3,(H,28,30)(H,31,32)