methyl 3-[4-[3-(3-cyanophenoxy)propyl]-2-(methylcarbamoyl)piperazin-1-yl]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[4-[3-(3-cyanophenoxy)propyl]-2-(methylcarbamoyl)piperazin-1-yl]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[4-[3-(3-cyanophenoxy)propyl]-2-(methylcarbamoyl)piperazin-1-yl]-3-oxo-propanoate CAS Name: 3-[4-[3-(3-cyanophenoxy)propyl]-2-(methylcarbamoyl)-1-piperazinyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(3-cyanophenoxy)propyl]-2-(methylcarbamoyl)piperazin-1-yl]-3-oxopropanoate Traditional Name: 3-[4-[3-(3-cyanophenoxy)propyl]-2-(methylcarbamoyl)piperazino]-3-keto-propionic acid methyl ester Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(CCN1C(=O)CC(=O)OC)CCCOC2=CC=CC(=C2)C#N

Isomeric SMILES

CNC(=O)C1CN(CCN1C(=O)CC(=O)OC)CCCOC2=CC=CC(=C2)C#N

InChI

InChI=1S/C20H26N4O5/c1-22-20(27)17-14-23(8-9-24(17)18(25)12-19(26)28-2)7-4-10-29-16-6-3-5-15(11-16)13-21/h3,5-6,11,17H,4,7-10,12,14H2,1-2H3,(H,22,27)