[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-(4-propylphenyl)butanoate

Systemtic Name: [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-(4-propylphenyl)butanoate Openeye Name: [(1R)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 4-oxo-4-(4-propylphenyl)butanoate CAS Name: 4-oxo-4-(4-propylphenyl)butanoic 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-oxo-4-(4-propylphenyl)butanoate Traditional Name: 4-keto-4-(4-propylphenyl)butyric acid [(1R)-2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)C2=C(NC3=CC=CC=C32)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CCC(=O)O[C@H](C)C(=O)C2=C(NC3=CC=CC=C32)C

InChI

InChI=1S/C25H27NO4/c1-4-7-18-10-12-19(13-11-18)22(27)14-15-23(28)30-17(3)25(29)24-16(2)26-21-9-6-5-8-20(21)24/h5-6,8-13,17,26H,4,7,14-15H2,1-3H3/t17-/m1/s1