tert-butyl 2-[[4-[(4-cyanophenyl)carbonylcarbamoylamino]phenyl]methyl]-4-ethoxy-butanoate

Systemtic Name: tert-butyl 2-[[4-[(4-cyanophenyl)carbonylcarbamoylamino]phenyl]methyl]-4-ethoxy-butanoate Openeye Name: tert-butyl 2-[[4-[(4-cyanobenzoyl)carbamoylamino]phenyl]methyl]-4-ethoxy-butanoate CAS Name: 2-[[4-[[[[(4-cyanophenyl)-oxomethyl]amino]-oxomethyl]amino]phenyl]methyl]-4-ethoxybutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-[(4-cyanobenzoyl)carbamoylamino]phenyl]methyl]-4-ethoxybutanoate Traditional Name: 2-[4-[(4-cyanobenzoyl)carbamoylamino]benzyl]-4-ethoxy-butyric acid tert-butyl ester Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC(CC1=CC=C(C=C1)NC(=O)NC(=O)C2=CC=C(C=C2)C#N)C(=O)OC(C)(C)C

Isomeric SMILES

CCOCCC(CC1=CC=C(C=C1)NC(=O)NC(=O)C2=CC=C(C=C2)C#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H31N3O5/c1-5-33-15-14-21(24(31)34-26(2,3)4)16-18-8-12-22(13-9-18)28-25(32)29-23(30)20-10-6-19(17-27)7-11-20/h6-13,21H,5,14-16H2,1-4H3,(H2,28,29,30,32)