[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 4-butoxy-3-ethoxy-benzoate

Systemtic Name: [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 4-butoxy-3-ethoxy-benzoate Openeye Name: [(1R)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic acid [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-benzoic acid [(1R)-2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C25H29NO5 MolecularWeight: 423.50146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)C2=C(NC3=CC=CC=C32)C)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)C2=C(NC3=CC=CC=C32)C)OCC

InChI

InChI=1S/C25H29NO5/c1-5-7-14-30-21-13-12-18(15-22(21)29-6-2)25(28)31-17(4)24(27)23-16(3)26-20-11-9-8-10-19(20)23/h8-13,15,17,26H,5-7,14H2,1-4H3/t17-/m1/s1