methyl (2S)-2-[[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[3-ethoxy-4-(4-pyridylmethoxy)benzoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[3-ethoxy-4-(4-pyridylmethoxy)benzoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C25H26N2O5 MolecularWeight: 434.48434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)OCC3=CC=NC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)OCC3=CC=NC=C3

InChI

InChI=1S/C25H26N2O5/c1-3-31-23-16-20(9-10-22(23)32-17-19-11-13-26-14-12-19)24(28)27-21(25(29)30-2)15-18-7-5-4-6-8-18/h4-14,16,21H,3,15,17H2,1-2H3,(H,27,28)/t21-/m0/s1