(1S,2R)-2-[[6-(2-methoxy-4-propyl-phenoxy)pyridin-3-yl]carbamoyl]cyclopropane-1-carboxylate

Systemtic Name: (1S,2R)-2-[[6-(2-methoxy-4-propyl-phenoxy)pyridin-3-yl]carbamoyl]cyclopropane-1-carboxylate Openeye Name: (1S,2R)-2-[[6-(2-methoxy-4-propyl-phenoxy)-3-pyridyl]carbamoyl]cyclopropanecarboxylate CAS Name: (1S,2R)-2-[[[6-(2-methoxy-4-propylphenoxy)-3-pyridinyl]amino]-oxomethyl]-1-cyclopropanecarboxylate IUPAC Name: (1S,2R)-2-[[6-(2-methoxy-4-propylphenoxy)pyridin-3-yl]carbamoyl]cyclopropane-1-carboxylate Traditional Name: (1S,2R)-2-[[6-(2-methoxy-4-propyl-phenoxy)-3-pyridyl]carbamoyl]cyclopropanecarboxylate Formula: C20H21N2O5- MolecularWeight: 369.39114

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OC2=NC=C(C=C2)NC(=O)C3CC3C(=O)[O-])OC

Isomeric SMILES

CCCC1=CC(=C(C=C1)OC2=NC=C(C=C2)NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])OC

InChI

InChI=1S/C20H22N2O5/c1-3-4-12-5-7-16(17(9-12)26-2)27-18-8-6-13(11-21-18)22-19(23)14-10-15(14)20(24)25/h5-9,11,14-15H,3-4,10H2,1-2H3,(H,22,23)(H,24,25)/p-1/t14-,15+/m1/s1