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

Systemtic Name: 3-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-2-methoxy-benzoic acid Openeye Name: 3-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-2-methoxy-benzoic acid CAS Name: 3-[[6-[(2-ethyl-1-oxohexyl)amino]-1-indolyl]methyl]-2-methoxybenzoic acid IUPAC Name: 3-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-2-methoxybenzoic acid Traditional Name: 3-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-2-methoxy-benzoic acid Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C=CN2CC3=CC=CC(=C3OC)C(=O)O

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C=CN2CC3=CC=CC(=C3OC)C(=O)O

InChI

InChI=1S/C25H30N2O4/c1-4-6-8-17(5-2)24(28)26-20-12-11-18-13-14-27(22(18)15-20)16-19-9-7-10-21(25(29)30)23(19)31-3/h7,9-15,17H,4-6,8,16H2,1-3H3,(H,26,28)(H,29,30)