tert-butyl 2-ethanoyl-2-[(4-methylpentanoylamino)-phenyl-amino]-5-phenyl-pentanoate

Systemtic Name: tert-butyl 2-ethanoyl-2-[(4-methylpentanoylamino)-phenyl-amino]-5-phenyl-pentanoate Openeye Name: tert-butyl 2-acetyl-2-(N-(4-methylpentanoylamino)anilino)-5-phenyl-pentanoate CAS Name: 2-acetyl-2-(N-[(4-methyl-1-oxopentyl)amino]anilino)-5-phenylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-acetyl-2-(N-(4-methylpentanoylamino)anilino)-5-phenylpentanoate Traditional Name: 2-acetyl-2-(N-(4-methylpentanoylamino)anilino)-5-phenyl-valeric acid tert-butyl ester Formula: C29H40N2O4 MolecularWeight: 480.6389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)NN(C1=CC=CC=C1)C(CCCC2=CC=CC=C2)(C(=O)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CCC(=O)NN(C1=CC=CC=C1)C(CCCC2=CC=CC=C2)(C(=O)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H40N2O4/c1-22(2)19-20-26(33)30-31(25-17-11-8-12-18-25)29(23(3)32,27(34)35-28(4,5)6)21-13-16-24-14-9-7-10-15-24/h7-12,14-15,17-18,22H,13,16,19-21H2,1-6H3,(H,30,33)