[4-[(4-oxidanyl-3-propyl-phenyl)carbamoyl]phenyl] icosanoate

Systemtic Name: [4-[(4-oxidanyl-3-propyl-phenyl)carbamoyl]phenyl] icosanoate Openeye Name: [4-[(4-hydroxy-3-propyl-phenyl)carbamoyl]phenyl] icosanoate CAS Name: eicosanoic acid [4-[(4-hydroxy-3-propylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(4-hydroxy-3-propylphenyl)carbamoyl]phenyl] icosanoate Traditional Name: arachidic acid [4-[(4-hydroxy-3-propyl-phenyl)carbamoyl]phenyl] ester Formula: C36H55NO4 MolecularWeight: 565.8262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)O)CCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)O)CCC

InChI

InChI=1S/C36H55NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-35(39)41-33-26-23-30(24-27-33)36(40)37-32-25-28-34(38)31(29-32)21-4-2/h23-29,38H,3-22H2,1-2H3,(H,37,40)