3-[3-[[1-(2-diethylaminoethyl)benzimidazol-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3-[[1-(2-diethylaminoethyl)benzimidazol-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[3-[[1-(2-diethylaminoethyl)benzimidazol-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[3-[[[1-(2-diethylaminoethyl)-2-benzimidazolyl]amino]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-[[1-(2-diethylaminoethyl)benzimidazol-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[3-[[1-(2-diethylaminoethyl)benzimidazol-2-yl]carbamoyl]pyrazol-1-yl]propionic acid Formula: C20H26N6O3 MolecularWeight: 398.45884

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=NN(C=C3)CCC(=O)O

Isomeric SMILES

CCN(CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=NN(C=C3)CCC(=O)O

InChI

InChI=1S/C20H26N6O3/c1-3-24(4-2)13-14-26-17-8-6-5-7-15(17)21-20(26)22-19(29)16-9-11-25(23-16)12-10-18(27)28/h5-9,11H,3-4,10,12-14H2,1-2H3,(H,27,28)(H,21,22,29)