ethyl 2-[1-(4-cyanophenyl)butylcarbamoylamino]-3-pyridin-3-yl-propanoate

Systemtic Name: ethyl 2-[1-(4-cyanophenyl)butylcarbamoylamino]-3-pyridin-3-yl-propanoate Openeye Name: ethyl 2-[1-(4-cyanophenyl)butylcarbamoylamino]-3-(3-pyridyl)propanoate CAS Name: 2-[[[1-(4-cyanophenyl)butylamino]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-cyanophenyl)butylcarbamoylamino]-3-pyridin-3-ylpropanoate Traditional Name: 2-[1-(4-cyanophenyl)butylcarbamoylamino]-3-(3-pyridyl)propionic acid ethyl ester Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)C#N)NC(=O)NC(CC2=CN=CC=C2)C(=O)OCC

Isomeric SMILES

CCCC(C1=CC=C(C=C1)C#N)NC(=O)NC(CC2=CN=CC=C2)C(=O)OCC

InChI

InChI=1S/C22H26N4O3/c1-3-6-19(18-10-8-16(14-23)9-11-18)25-22(28)26-20(21(27)29-4-2)13-17-7-5-12-24-15-17/h5,7-12,15,19-20H,3-4,6,13H2,1-2H3,(H2,25,26,28)