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

Systemtic Name: 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methyl-benzoic acid Openeye Name: 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methyl-benzoic acid CAS Name: 4-[[6-[(2-ethyl-1-oxohexyl)amino]-1-indolyl]methyl]-3-methylbenzoic acid IUPAC Name: 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methylbenzoic acid Traditional Name: 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methyl-benzoic acid Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C=CN2CC3=C(C=C(C=C3)C(=O)O)C

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C=CN2CC3=C(C=C(C=C3)C(=O)O)C

InChI

InChI=1S/C25H30N2O3/c1-4-6-7-18(5-2)24(28)26-22-11-10-19-12-13-27(23(19)15-22)16-21-9-8-20(25(29)30)14-17(21)3/h8-15,18H,4-7,16H2,1-3H3,(H,26,28)(H,29,30)