cyclohexyl 3-[[1-(4-cyanophenyl)-2-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]propanoate

Systemtic Name: cyclohexyl 3-[[1-(4-cyanophenyl)-2-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]propanoate Openeye Name: cyclohexyl 3-[[1-(4-cyanophenyl)-2-oxo-pyrrolidin-3-yl]carbamoylamino]propanoate CAS Name: 3-[[[[1-(4-cyanophenyl)-2-oxo-3-pyrrolidinyl]amino]-oxomethyl]amino]propanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 3-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate Traditional Name: 3-[[1-(4-cyanophenyl)-2-keto-pyrrolidin-3-yl]carbamoylamino]propionic acid cyclohexyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CCNC(=O)NC2CCN(C2=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCC(CC1)OC(=O)CCNC(=O)NC2CCN(C2=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H26N4O4/c22-14-15-6-8-16(9-7-15)25-13-11-18(20(25)27)24-21(28)23-12-10-19(26)29-17-4-2-1-3-5-17/h6-9,17-18H,1-5,10-13H2,(H2,23,24,28)