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

Systemtic Name: tert-butyl (E)-2-[4-methylpentanoyl-(phenethylamino)amino]-5-phenyl-pent-4-enoate Openeye Name: tert-butyl (E)-2-[4-methylpentanoyl-(phenethylamino)amino]-5-phenyl-pent-4-enoate CAS Name: (E)-2-[(4-methyl-1-oxopentyl)-(phenethylamino)amino]-5-phenyl-4-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-2-[4-methylpentanoyl-(phenethylamino)amino]-5-phenylpent-4-enoate Traditional Name: (E)-2-[4-methylpentanoyl-(phenethylamino)amino]-5-phenyl-pent-4-enoic acid tert-butyl ester Formula: C29H40N2O3 MolecularWeight: 464.6395

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)N(C(CC=CC1=CC=CC=C1)C(=O)OC(C)(C)C)NCCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCC(=O)N(C(C/C=C/C1=CC=CC=C1)C(=O)OC(C)(C)C)NCCC2=CC=CC=C2

InChI

InChI=1S/C29H40N2O3/c1-23(2)19-20-27(32)31(30-22-21-25-15-10-7-11-16-25)26(28(33)34-29(3,4)5)18-12-17-24-13-8-6-9-14-24/h6-17,23,26,30H,18-22H2,1-5H3/b17-12+