3-methoxy-4-[[6-(2-phenylhexanoylamino)indol-1-yl]methyl]benzoic acid

Systemtic Name: 3-methoxy-4-[[6-(2-phenylhexanoylamino)indol-1-yl]methyl]benzoic acid Openeye Name: 3-methoxy-4-[[6-(2-phenylhexanoylamino)indol-1-yl]methyl]benzoic acid CAS Name: 3-methoxy-4-[[6-[(1-oxo-2-phenylhexyl)amino]-1-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[6-(2-phenylhexanoylamino)indol-1-yl]methyl]benzoic acid Traditional Name: 3-methoxy-4-[[6-(2-phenylhexanoylamino)indol-1-yl]methyl]benzoic acid Formula: C29H30N2O4 MolecularWeight: 470.5595

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)C=CN3CC4=C(C=C(C=C4)C(=O)O)OC

Isomeric SMILES

CCCCC(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)C=CN3CC4=C(C=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C29H30N2O4/c1-3-4-10-25(20-8-6-5-7-9-20)28(32)30-24-14-13-21-15-16-31(26(21)18-24)19-23-12-11-22(29(33)34)17-27(23)35-2/h5-9,11-18,25H,3-4,10,19H2,1-2H3,(H,30,32)(H,33,34)