[[2-(2-methylpropyl)-3-(pentan-3-yloxycarbamoyl)hex-5-enoyl]amino] 3-phenylpropanoate

Systemtic Name: [[2-(2-methylpropyl)-3-(pentan-3-yloxycarbamoyl)hex-5-enoyl]amino] 3-phenylpropanoate Openeye Name: [[3-(1-ethylpropoxycarbamoyl)-2-isobutyl-hex-5-enoyl]amino] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [[2-(2-methylpropyl)-1-oxo-3-[oxo-(pentan-3-yloxyamino)methyl]hex-5-enyl]amino] ester IUPAC Name: [[2-(2-methylpropyl)-3-(pentan-3-yloxycarbamoyl)hex-5-enoyl]amino] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [[3-(1-ethylpropoxycarbamoyl)-2-isobutyl-hex-5-enoyl]amino] ester Formula: C25H38N2O5 MolecularWeight: 446.57962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)ONC(=O)C(CC=C)C(CC(C)C)C(=O)NOC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CCC(CC)ONC(=O)C(CC=C)C(CC(C)C)C(=O)NOC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C25H38N2O5/c1-6-12-21(24(29)26-31-20(7-2)8-3)22(17-18(4)5)25(30)27-32-23(28)16-15-19-13-10-9-11-14-19/h6,9-11,13-14,18,20-22H,1,7-8,12,15-17H2,2-5H3,(H,26,29)(H,27,30)