tert-butyl 5-[(E)-1-(pentanoylcarbamoylamino)-2-phenyl-ethenyl]-2-phenyl-benzoate

Systemtic Name: tert-butyl 5-[(E)-1-(pentanoylcarbamoylamino)-2-phenyl-ethenyl]-2-phenyl-benzoate Openeye Name: tert-butyl 5-[(E)-1-(pentanoylcarbamoylamino)-2-phenyl-vinyl]-2-phenyl-benzoate CAS Name: 5-[(E)-1-[[oxo-(1-oxopentylamino)methyl]amino]-2-phenylethenyl]-2-phenylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(E)-1-(pentanoylcarbamoylamino)-2-phenylethenyl]-2-phenylbenzoate Traditional Name: 2-phenyl-5-[(E)-2-phenyl-1-(valerylcarbamoylamino)vinyl]benzoic acid tert-butyl ester Formula: C31H34N2O4 MolecularWeight: 498.61266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=O)NC(=CC1=CC=CC=C1)C2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC(=O)NC(=O)N/C(=C/C1=CC=CC=C1)/C2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H34N2O4/c1-5-6-17-28(34)33-30(36)32-27(20-22-13-9-7-10-14-22)24-18-19-25(23-15-11-8-12-16-23)26(21-24)29(35)37-31(2,3)4/h7-16,18-21H,5-6,17H2,1-4H3,(H2,32,33,34,36)/b27-20+