tert-butyl (E)-2-[4-methylpentanoyl(phenylazanyl)amino]-5-pyridin-3-yl-pent-4-enoate

Systemtic Name: tert-butyl (E)-2-[4-methylpentanoyl(phenylazanyl)amino]-5-pyridin-3-yl-pent-4-enoate Openeye Name: tert-butyl (E)-2-[anilino(4-methylpentanoyl)amino]-5-(3-pyridyl)pent-4-enoate CAS Name: (E)-2-[anilino-(4-methyl-1-oxopentyl)amino]-5-(3-pyridinyl)-4-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-2-[anilino(4-methylpentanoyl)amino]-5-pyridin-3-ylpent-4-enoate Traditional Name: (E)-2-[anilino(4-methylpentanoyl)amino]-5-(3-pyridyl)pent-4-enoic acid tert-butyl ester Formula: C26H35N3O3 MolecularWeight: 437.5744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)N(C(CC=CC1=CN=CC=C1)C(=O)OC(C)(C)C)NC2=CC=CC=C2

Isomeric SMILES

CC(C)CCC(=O)N(C(C/C=C/C1=CN=CC=C1)C(=O)OC(C)(C)C)NC2=CC=CC=C2

InChI

InChI=1S/C26H35N3O3/c1-20(2)16-17-24(30)29(28-22-13-7-6-8-14-22)23(25(31)32-26(3,4)5)15-9-11-21-12-10-18-27-19-21/h6-14,18-20,23,28H,15-17H2,1-5H3/b11-9+