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

Systemtic Name: 4-[[6-(2-cyclohexylbutanoylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[6-(2-cyclohexylbutanoylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[6-[(2-cyclohexyl-1-oxobutyl)amino]-1-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[6-(2-cyclohexylbutanoylamino)indol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[6-(2-cyclohexylbutanoylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCCC1)C(=O)NC2=CC3=C(C=C2)C=CN3CC4=C(C=C(C=C4)C(=O)O)OC

Isomeric SMILES

CCC(C1CCCCC1)C(=O)NC2=CC3=C(C=C2)C=CN3CC4=C(C=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C27H32N2O4/c1-3-23(18-7-5-4-6-8-18)26(30)28-22-12-11-19-13-14-29(24(19)16-22)17-21-10-9-20(27(31)32)15-25(21)33-2/h9-16,18,23H,3-8,17H2,1-2H3,(H,28,30)(H,31,32)