N-[(2S)-1-[(4-methoxyphenyl)amino]pentan-2-yl]-1-[(3-phenylphenyl)amino]cyclohexane-1-carboxamide

Systemtic Name: N-[(2S)-1-[(4-methoxyphenyl)amino]pentan-2-yl]-1-[(3-phenylphenyl)amino]cyclohexane-1-carboxamide Openeye Name: N-[(1S)-1-[(4-methoxyanilino)methyl]butyl]-1-(3-phenylanilino)cyclohexanecarboxamide CAS Name: N-[(2S)-1-(4-methoxyanilino)pentan-2-yl]-1-(3-phenylanilino)-1-cyclohexanecarboxamide IUPAC Name: N-[(2S)-1-(4-methoxyanilino)pentan-2-yl]-1-(3-phenylanilino)cyclohexane-1-carboxamide Traditional Name: N-[(1S)-1-(p-anisidinomethyl)butyl]-1-(3-phenylanilino)cyclohexanecarboxamide Formula: C31H39N3O2 MolecularWeight: 485.66026

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CNC1=CC=C(C=C1)OC)NC(=O)C2(CCCCC2)NC3=CC=CC(=C3)C4=CC=CC=C4

Isomeric SMILES

CCC[C@@H](CNC1=CC=C(C=C1)OC)NC(=O)C2(CCCCC2)NC3=CC=CC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H39N3O2/c1-3-11-28(23-32-26-16-18-29(36-2)19-17-26)33-30(35)31(20-8-5-9-21-31)34-27-15-10-14-25(22-27)24-12-6-4-7-13-24/h4,6-7,10,12-19,22,28,32,34H,3,5,8-9,11,20-21,23H2,1-2H3,(H,33,35)/t28-/m0/s1