tert-butyl 3-[3-[2-(phenylmethoxycarbonylamino)propyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate

Systemtic Name: tert-butyl 3-[3-[2-(phenylmethoxycarbonylamino)propyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate Openeye Name: tert-butyl 3-[3-[2-(benzyloxycarbonylamino)propyl]-5-(3-pyridylmethyl)phenyl]propanoate CAS Name: 3-[3-[2-(phenylmethoxycarbonylamino)propyl]-5-(3-pyridinylmethyl)phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-[2-(phenylmethoxycarbonylamino)propyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate Traditional Name: 3-[3-[2-(benzyloxycarbonylamino)propyl]-5-(3-pyridylmethyl)phenyl]propionic acid tert-butyl ester Formula: C30H36N2O4 MolecularWeight: 488.61784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=CC(=C1)CCC(=O)OC(C)(C)C)CC2=CN=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(CC1=CC(=CC(=C1)CCC(=O)OC(C)(C)C)CC2=CN=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C30H36N2O4/c1-22(32-29(34)35-21-23-9-6-5-7-10-23)15-26-16-24(12-13-28(33)36-30(2,3)4)17-27(19-26)18-25-11-8-14-31-20-25/h5-11,14,16-17,19-20,22H,12-13,15,18,21H2,1-4H3,(H,32,34)