ethyl 3-[[1-(4-pyrrolidin-1-ylcarbonylpyridin-2-yl)piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[1-(4-pyrrolidin-1-ylcarbonylpyridin-2-yl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[1-[4-(pyrrolidine-1-carbonyl)-2-pyridyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[1-[4-[oxo(1-pyrrolidinyl)methyl]-2-pyridinyl]-4-piperidinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-[4-(pyrrolidine-1-carbonyl)pyridin-2-yl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 3-[[1-[4-(pyrrolidine-1-carbonyl)-2-pyridyl]isonipecotoyl]amino]benzoic acid ethyl ester Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)C3=NC=CC(=C3)C(=O)N4CCCC4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)C3=NC=CC(=C3)C(=O)N4CCCC4

InChI

InChI=1S/C25H30N4O4/c1-2-33-25(32)20-6-5-7-21(16-20)27-23(30)18-9-14-28(15-10-18)22-17-19(8-11-26-22)24(31)29-12-3-4-13-29/h5-8,11,16-18H,2-4,9-10,12-15H2,1H3,(H,27,30)