3,5,5-trimethyl-N-[2-[(3-methylphenyl)carbamoyl-(4-phenoxyphenyl)amino]ethyl]hexanamide

Systemtic Name: 3,5,5-trimethyl-N-[2-[(3-methylphenyl)carbamoyl-(4-phenoxyphenyl)amino]ethyl]hexanamide Openeye Name: 3,5,5-trimethyl-N-[2-[N-(m-tolylcarbamoyl)-4-phenoxy-anilino]ethyl]hexanamide CAS Name: 3,5,5-trimethyl-N-[2-(N-[(3-methylanilino)-oxomethyl]-4-phenoxyanilino)ethyl]hexanamide IUPAC Name: 3,5,5-trimethyl-N-[2-[N-[(3-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]hexanamide Traditional Name: 3,5,5-trimethyl-N-[2-[N-(m-tolylcarbamoyl)-4-phenoxy-anilino]ethyl]hexanamide Formula: C31H39N3O3 MolecularWeight: 501.65966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N(CCNC(=O)CC(C)CC(C)(C)C)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N(CCNC(=O)CC(C)CC(C)(C)C)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C31H39N3O3/c1-23-10-9-11-25(20-23)33-30(36)34(19-18-32-29(35)21-24(2)22-31(3,4)5)26-14-16-28(17-15-26)37-27-12-7-6-8-13-27/h6-17,20,24H,18-19,21-22H2,1-5H3,(H,32,35)(H,33,36)