(2S,3R)-3-(1-methylindol-3-yl)-2-(3-oxidanylidenebutyl)hexanal

Systemtic Name: (2S,3R)-3-(1-methylindol-3-yl)-2-(3-oxidanylidenebutyl)hexanal Openeye Name: (2S,3R)-3-(1-methylindol-3-yl)-2-(3-oxobutyl)hexanal CAS Name: (2S,3R)-3-(1-methyl-3-indolyl)-2-(3-oxobutyl)hexanal IUPAC Name: (2S,3R)-3-(1-methylindol-3-yl)-2-(3-oxobutyl)hexanal Traditional Name: (2S,3R)-2-(3-ketobutyl)-3-(1-methylindol-3-yl)hexanal Formula: C19H25NO2 MolecularWeight: 299.4073

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CN(C2=CC=CC=C21)C)C(CCC(=O)C)C=O

Isomeric SMILES

CCC[C@@H](C1=CN(C2=CC=CC=C21)C)[C@H](CCC(=O)C)C=O

InChI

InChI=1S/C19H25NO2/c1-4-7-16(15(13-21)11-10-14(2)22)18-12-20(3)19-9-6-5-8-17(18)19/h5-6,8-9,12-13,15-16H,4,7,10-11H2,1-3H3/t15-,16-/m1/s1