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

Systemtic Name: 3-chloranyl-4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzoic acid Openeye Name: 3-chloro-4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzoic acid CAS Name: 3-chloro-4-[[6-[(2-ethyl-1-oxohexyl)amino]-1-indolyl]methyl]benzoic acid IUPAC Name: 3-chloro-4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzoic acid Traditional Name: 3-chloro-4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzoic acid Formula: C24H27ClN2O3 MolecularWeight: 426.93578

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H27ClN2O3/c1-3-5-6-16(4-2)23(28)26-20-10-9-17-11-12-27(22(17)14-20)15-19-8-7-18(24(29)30)13-21(19)25/h7-14,16H,3-6,15H2,1-2H3,(H,26,28)(H,29,30)