4-methanoylhexan-3-yl 5-methyl-1-phenethyl-indole-6-carboxylate

Systemtic Name: 4-methanoylhexan-3-yl 5-methyl-1-phenethyl-indole-6-carboxylate Openeye Name: (1-ethyl-2-formyl-butyl) 5-methyl-1-phenethyl-indole-6-carboxylate CAS Name: 5-methyl-1-phenethyl-6-indolecarboxylic acid 4-formylhexan-3-yl ester IUPAC Name: 4-formylhexan-3-yl 5-methyl-1-phenethylindole-6-carboxylate Traditional Name: 5-methyl-1-phenethyl-indole-6-carboxylic acid (1-ethyl-2-formyl-butyl) ester Formula: C25H29NO3 MolecularWeight: 391.50266

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=O)C(CC)OC(=O)C1=C(C=C2C=CN(C2=C1)CCC3=CC=CC=C3)C

Isomeric SMILES

CCC(C=O)C(CC)OC(=O)C1=C(C=C2C=CN(C2=C1)CCC3=CC=CC=C3)C

InChI

InChI=1S/C25H29NO3/c1-4-20(17-27)24(5-2)29-25(28)22-16-23-21(15-18(22)3)12-14-26(23)13-11-19-9-7-6-8-10-19/h6-10,12,14-17,20,24H,4-5,11,13H2,1-3H3