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

Systemtic Name: [[3-(ethoxycarbamoyl)-2-(2-methylpropyl)hex-5-enoyl]amino] 3-phenylpropanoate Openeye Name: [[3-(ethoxycarbamoyl)-2-isobutyl-hex-5-enoyl]amino] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [[3-[(ethoxyamino)-oxomethyl]-2-(2-methylpropyl)-1-oxohex-5-enyl]amino] ester IUPAC Name: [[3-(ethoxycarbamoyl)-2-(2-methylpropyl)hex-5-enoyl]amino] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [[3-(ethoxycarbamoyl)-2-isobutyl-hex-5-enoyl]amino] ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CCONC(=O)C(CC=C)C(CC(C)C)C(=O)NOC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CCONC(=O)C(CC=C)C(CC(C)C)C(=O)NOC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C22H32N2O5/c1-5-10-18(21(26)23-28-6-2)19(15-16(3)4)22(27)24-29-20(25)14-13-17-11-8-7-9-12-17/h5,7-9,11-12,16,18-19H,1,6,10,13-15H2,2-4H3,(H,23,26)(H,24,27)