methyl 4-[[5-(2-ethylhexanoylamino)-1H-indol-3-yl]methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[[5-(2-ethylhexanoylamino)-1H-indol-3-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[5-(2-ethylhexanoylamino)-1H-indol-3-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[5-[(2-ethyl-1-oxohexyl)amino]-1H-indol-3-yl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[5-(2-ethylhexanoylamino)-1H-indol-3-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[5-(2-ethylhexanoylamino)-1H-indol-3-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)NC=C2CC3=C(C=C(C=C3)C(=O)OC)OC

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)NC=C2CC3=C(C=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C26H32N2O4/c1-5-7-8-17(6-2)25(29)28-21-11-12-23-22(15-21)20(16-27-23)13-18-9-10-19(26(30)32-4)14-24(18)31-3/h9-12,14-17,27H,5-8,13H2,1-4H3,(H,28,29)