ethyl 6-oxidanylidene-6-(pentylamino)-2-(3-phenylpropanoylamino)hexanoate

Systemtic Name: ethyl 6-oxidanylidene-6-(pentylamino)-2-(3-phenylpropanoylamino)hexanoate Openeye Name: ethyl 6-oxo-6-(pentylamino)-2-(3-phenylpropanoylamino)hexanoate CAS Name: 6-oxo-2-[(1-oxo-3-phenylpropyl)amino]-6-(pentylamino)hexanoic acid ethyl ester IUPAC Name: ethyl 6-oxo-6-(pentylamino)-2-(3-phenylpropanoylamino)hexanoate Traditional Name: 6-(amylamino)-2-(hydrocinnamoylamino)-6-keto-hexanoic acid ethyl ester Formula: C22H34N2O4 MolecularWeight: 390.51636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CCCC(C(=O)OCC)NC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CCCCCNC(=O)CCCC(C(=O)OCC)NC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C22H34N2O4/c1-3-5-9-17-23-20(25)14-10-13-19(22(27)28-4-2)24-21(26)16-15-18-11-7-6-8-12-18/h6-8,11-12,19H,3-5,9-10,13-17H2,1-2H3,(H,23,25)(H,24,26)