methyl 3-[3-[(5-chloranylpyridin-2-yl)carbamoyl]-4-(piperidin-4-ylcarbonylamino)phenyl]propanoate

Systemtic Name: methyl 3-[3-[(5-chloranylpyridin-2-yl)carbamoyl]-4-(piperidin-4-ylcarbonylamino)phenyl]propanoate Openeye Name: methyl 3-[3-[(5-chloro-2-pyridyl)carbamoyl]-4-(piperidine-4-carbonylamino)phenyl]propanoate CAS Name: 3-[3-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-4-[[oxo(4-piperidinyl)methyl]amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-[(5-chloropyridin-2-yl)carbamoyl]-4-(piperidine-4-carbonylamino)phenyl]propanoate Traditional Name: 3-[3-[(5-chloro-2-pyridyl)carbamoyl]-4-(isonipecotoylamino)phenyl]propionic acid methyl ester Formula: C22H25ClN4O4 MolecularWeight: 444.9113

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC(=C(C=C1)NC(=O)C2CCNCC2)C(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

COC(=O)CCC1=CC(=C(C=C1)NC(=O)C2CCNCC2)C(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN4O4/c1-31-20(28)7-3-14-2-5-18(26-21(29)15-8-10-24-11-9-15)17(12-14)22(30)27-19-6-4-16(23)13-25-19/h2,4-6,12-13,15,24H,3,7-11H2,1H3,(H,26,29)(H,25,27,30)