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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38N2O5/c1-6-11-19(5)31-26-24(29)21(12-7-2)22(17-18(3)4)25(30)27-32-23(28)16-15-20-13-9-8-10-14-20/h7-10,13-14,18-19,21-22H,2,6,11-12,15-17H2,1,3-5H3,(H,26,29)(H,27,30)