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

Systemtic Name: 1-methyl-3-[1-(3-phenylpropanoylamino)octadecyl]indole-2-carboxylic acid Openeye Name: 1-methyl-3-[1-(3-phenylpropanoylamino)octadecyl]indole-2-carboxylic acid CAS Name: 1-methyl-3-[1-[(1-oxo-3-phenylpropyl)amino]octadecyl]-2-indolecarboxylic acid IUPAC Name: 1-methyl-3-[1-(3-phenylpropanoylamino)octadecyl]indole-2-carboxylic acid Traditional Name: 3-[1-(hydrocinnamoylamino)octadecyl]-1-methyl-indole-2-carboxylic acid Formula: C37H54N2O3 MolecularWeight: 574.83626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C1=C(N(C2=CC=CC=C21)C)C(=O)O)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C1=C(N(C2=CC=CC=C21)C)C(=O)O)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C37H54N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26-32(38-34(40)29-28-30-23-18-17-19-24-30)35-31-25-21-22-27-33(31)39(2)36(35)37(41)42/h17-19,21-25,27,32H,3-16,20,26,28-29H2,1-2H3,(H,38,40)(H,41,42)