methyl 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzoate Openeye Name: methyl 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzoate CAS Name: 4-[[6-[(2-ethyl-1-oxohexyl)amino]-1-indolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzoate Traditional Name: 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzoic acid methyl ester 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=CC=C(C=C3)C(=O)OC

Isomeric SMILES

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

InChI

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