hexadecyl 1-[[2-(dimethylamino)phenyl]methyl]-3-methyl-4-phenyl-indole-2-carboxylate

Systemtic Name: hexadecyl 1-[[2-(dimethylamino)phenyl]methyl]-3-methyl-4-phenyl-indole-2-carboxylate Openeye Name: hexadecyl 1-[[2-(dimethylamino)phenyl]methyl]-3-methyl-4-phenyl-indole-2-carboxylate CAS Name: 1-[[2-(dimethylamino)phenyl]methyl]-3-methyl-4-phenyl-2-indolecarboxylic acid hexadecyl ester IUPAC Name: hexadecyl 1-[[2-(dimethylamino)phenyl]methyl]-3-methyl-4-phenylindole-2-carboxylate Traditional Name: 1-[2-(dimethylamino)benzyl]-3-methyl-4-phenyl-indole-2-carboxylic acid cetyl ester Formula: C41H56N2O2 MolecularWeight: 608.89554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=C(C2=C(C=CC=C2N1CC3=CC=CC=C3N(C)C)C4=CC=CC=C4)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=C(C2=C(C=CC=C2N1CC3=CC=CC=C3N(C)C)C4=CC=CC=C4)C

InChI

InChI=1S/C41H56N2O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23-31-45-41(44)40-33(2)39-36(34-25-19-18-20-26-34)28-24-30-38(39)43(40)32-35-27-21-22-29-37(35)42(3)4/h18-22,24-30H,5-17,23,31-32H2,1-4H3