tert-butyl (E)-2-[4-methylpentanoyl-[(2-methylphenyl)amino]amino]-5-phenyl-pent-4-enoate

Systemtic Name: tert-butyl (E)-2-[4-methylpentanoyl-[(2-methylphenyl)amino]amino]-5-phenyl-pent-4-enoate Openeye Name: tert-butyl (E)-2-[(2-methylanilino)-(4-methylpentanoyl)amino]-5-phenyl-pent-4-enoate CAS Name: (E)-2-[(2-methylanilino)-(4-methyl-1-oxopentyl)amino]-5-phenyl-4-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-2-[(2-methylanilino)-(4-methylpentanoyl)amino]-5-phenylpent-4-enoate Traditional Name: (E)-2-[4-methylpentanoyl(o-toluidino)amino]-5-phenyl-pent-4-enoic acid tert-butyl ester Formula: C28H38N2O3 MolecularWeight: 450.61292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NN(C(CC=CC2=CC=CC=C2)C(=O)OC(C)(C)C)C(=O)CCC(C)C

Isomeric SMILES

CC1=CC=CC=C1NN(C(C/C=C/C2=CC=CC=C2)C(=O)OC(C)(C)C)C(=O)CCC(C)C

InChI

InChI=1S/C28H38N2O3/c1-21(2)19-20-26(31)30(29-24-17-11-10-13-22(24)3)25(27(32)33-28(4,5)6)18-12-16-23-14-8-7-9-15-23/h7-17,21,25,29H,18-20H2,1-6H3/b16-12+