methyl 2-[[1-[(2-ethoxypyridin-3-yl)methyl]piperidin-4-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[1-[(2-ethoxypyridin-3-yl)methyl]piperidin-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[1-[(2-ethoxy-3-pyridyl)methyl]piperidine-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[1-[(2-ethoxy-3-pyridinyl)methyl]-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[1-[(2-ethoxypyridin-3-yl)methyl]piperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[1-[(2-ethoxy-3-pyridyl)methyl]isonipecotoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)CN2CCC(CC2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCOC1=C(C=CC=N1)CN2CCC(CC2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H31N3O4/c1-3-31-23-20(10-7-13-25-23)17-27-14-11-19(12-15-27)22(28)26-21(24(29)30-2)16-18-8-5-4-6-9-18/h4-10,13,19,21H,3,11-12,14-17H2,1-2H3,(H,26,28)