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

Systemtic Name: hexadecyl 1-[(4-dimethylaminophenyl)methyl]-3-methyl-4-phenyl-indole-2-carboxylate Openeye Name: hexadecyl 1-[(4-dimethylaminophenyl)methyl]-3-methyl-4-phenyl-indole-2-carboxylate CAS Name: 1-[(4-dimethylaminophenyl)methyl]-3-methyl-4-phenyl-2-indolecarboxylic acid hexadecyl ester IUPAC Name: hexadecyl 1-[(4-dimethylaminophenyl)methyl]-3-methyl-4-phenylindole-2-carboxylate Traditional Name: 1-[4-(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=C(C=C3)N(C)C)C4=CC=CC=C4)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=C(C2=C(C=CC=C2N1CC3=CC=C(C=C3)N(C)C)C4=CC=CC=C4)C

InChI

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