5-(4-octadecoxyphenyl)-3-oxidanylidene-2-phenylazanyl-pentanoic acid

Systemtic Name: 5-(4-octadecoxyphenyl)-3-oxidanylidene-2-phenylazanyl-pentanoic acid Openeye Name: 2-anilino-5-(4-octadecoxyphenyl)-3-oxo-pentanoic acid CAS Name: 2-anilino-5-(4-octadecoxyphenyl)-3-oxopentanoic acid IUPAC Name: 2-anilino-5-(4-octadecoxyphenyl)-3-oxopentanoic acid Traditional Name: 2-anilino-3-keto-5-(4-stearyloxyphenyl)valeric acid Formula: C35H53NO4 MolecularWeight: 551.79962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)CCC(=O)C(C(=O)O)NC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)CCC(=O)C(C(=O)O)NC2=CC=CC=C2

InChI

InChI=1S/C35H53NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-29-40-32-26-23-30(24-27-32)25-28-33(37)34(35(38)39)36-31-21-18-17-19-22-31/h17-19,21-24,26-27,34,36H,2-16,20,25,28-29H2,1H3,(H,38,39)