tert-butyl 4-methyl-2-[2-[4-(phenylcarbamoylamino)phenyl]ethanoylamino]pentanoate

Systemtic Name: tert-butyl 4-methyl-2-[2-[4-(phenylcarbamoylamino)phenyl]ethanoylamino]pentanoate Openeye Name: tert-butyl 4-methyl-2-[[2-[4-(phenylcarbamoylamino)phenyl]acetyl]amino]pentanoate CAS Name: 2-[[2-[4-[[anilino(oxo)methyl]amino]phenyl]-1-oxoethyl]amino]-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-methyl-2-[[2-[4-(phenylcarbamoylamino)phenyl]acetyl]amino]pentanoate Traditional Name: 4-methyl-2-[[2-[4-(phenylcarbamoylamino)phenyl]acetyl]amino]valeric acid tert-butyl ester Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC(C)(C)C)NC(=O)CC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)OC(C)(C)C)NC(=O)CC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C25H33N3O4/c1-17(2)15-21(23(30)32-25(3,4)5)28-22(29)16-18-11-13-20(14-12-18)27-24(31)26-19-9-7-6-8-10-19/h6-14,17,21H,15-16H2,1-5H3,(H,28,29)(H2,26,27,31)