2-[methyl-[3-oxidanylidene-3-(pyridin-2-ylmethylamino)propyl]carbamoyl]oxy-3-phenyl-propanoic acid

Systemtic Name: 2-[methyl-[3-oxidanylidene-3-(pyridin-2-ylmethylamino)propyl]carbamoyl]oxy-3-phenyl-propanoic acid Openeye Name: 2-[methyl-[3-oxo-3-(2-pyridylmethylamino)propyl]carbamoyl]oxy-3-phenyl-propanoic acid CAS Name: 2-[[methyl-[3-oxo-3-(2-pyridinylmethylamino)propyl]amino]-oxomethoxy]-3-phenylpropanoic acid IUPAC Name: 2-[methyl-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]carbamoyl]oxy-3-phenylpropanoic acid Traditional Name: 2-[[3-keto-3-(2-pyridylmethylamino)propyl]-methyl-carbamoyl]oxy-3-phenyl-propionic acid Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)NCC1=CC=CC=N1)C(=O)OC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CN(CCC(=O)NCC1=CC=CC=N1)C(=O)OC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H23N3O5/c1-23(12-10-18(24)22-14-16-9-5-6-11-21-16)20(27)28-17(19(25)26)13-15-7-3-2-4-8-15/h2-9,11,17H,10,12-14H2,1H3,(H,22,24)(H,25,26)