ethyl 3-[[3-oxidanylidene-3-(pentylamino)-2-[(4-propan-2-yloxyphenyl)methyl]propanoyl]amino]propanoate

Systemtic Name: ethyl 3-[[3-oxidanylidene-3-(pentylamino)-2-[(4-propan-2-yloxyphenyl)methyl]propanoyl]amino]propanoate Openeye Name: ethyl 3-[[2-[(4-isopropoxyphenyl)methyl]-3-oxo-3-(pentylamino)propanoyl]amino]propanoate CAS Name: 3-[[1,3-dioxo-3-(pentylamino)-2-[(4-propan-2-yloxyphenyl)methyl]propyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[3-oxo-3-(pentylamino)-2-[(4-propan-2-yloxyphenyl)methyl]propanoyl]amino]propanoate Traditional Name: 3-[[3-(amylamino)-2-(4-isopropoxybenzyl)-3-keto-propanoyl]amino]propionic acid ethyl ester Formula: C23H36N2O5 MolecularWeight: 420.54234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC1=CC=C(C=C1)OC(C)C)C(=O)NCCC(=O)OCC

Isomeric SMILES

CCCCCNC(=O)C(CC1=CC=C(C=C1)OC(C)C)C(=O)NCCC(=O)OCC

InChI

InChI=1S/C23H36N2O5/c1-5-7-8-14-24-22(27)20(23(28)25-15-13-21(26)29-6-2)16-18-9-11-19(12-10-18)30-17(3)4/h9-12,17,20H,5-8,13-16H2,1-4H3,(H,24,27)(H,25,28)