hexadecyl 4-[2-(dimethylamino)phenyl]-1,3-dimethyl-5-phenyl-indole-2-carboxylate

Systemtic Name: hexadecyl 4-[2-(dimethylamino)phenyl]-1,3-dimethyl-5-phenyl-indole-2-carboxylate Openeye Name: hexadecyl 4-[2-(dimethylamino)phenyl]-1,3-dimethyl-5-phenyl-indole-2-carboxylate CAS Name: 4-[2-(dimethylamino)phenyl]-1,3-dimethyl-5-phenyl-2-indolecarboxylic acid hexadecyl ester IUPAC Name: hexadecyl 4-[2-(dimethylamino)phenyl]-1,3-dimethyl-5-phenylindole-2-carboxylate Traditional Name: 4-[2-(dimethylamino)phenyl]-1,3-dimethyl-5-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(N1C)C=CC(=C2C3=CC=CC=C3N(C)C)C4=CC=CC=C4)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=C(C2=C(N1C)C=CC(=C2C3=CC=CC=C3N(C)C)C4=CC=CC=C4)C

InChI

InChI=1S/C41H56N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-24-31-45-41(44)40-32(2)38-37(43(40)5)30-29-34(33-25-20-19-21-26-33)39(38)35-27-22-23-28-36(35)42(3)4/h19-23,25-30H,6-18,24,31H2,1-5H3