3-[1-(3-phenylpropanoylamino)octadecyl]-1H-indole-2-carboxylic acid

Systemtic Name: 3-[1-(3-phenylpropanoylamino)octadecyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[1-(3-phenylpropanoylamino)octadecyl]-1H-indole-2-carboxylic acid CAS Name: 3-[1-[(1-oxo-3-phenylpropyl)amino]octadecyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-[1-(3-phenylpropanoylamino)octadecyl]-1H-indole-2-carboxylic acid Traditional Name: 3-[1-(hydrocinnamoylamino)octadecyl]-1H-indole-2-carboxylic acid Formula: C36H52N2O3 MolecularWeight: 560.80968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C1=C(NC2=CC=CC=C21)C(=O)O)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C1=C(NC2=CC=CC=C21)C(=O)O)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C36H52N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-32(37-33(39)28-27-29-22-17-16-18-23-29)34-30-24-20-21-25-31(30)38-35(34)36(40)41/h16-18,20-25,32,38H,2-15,19,26-28H2,1H3,(H,37,39)(H,40,41)