tert-butyl N-[(2S)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[benzofuran-5-ylmethyl(4-pyridylmethyl)amino]-1-benzyl-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[5-benzofuranylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[benzofuran-5-ylmethyl(4-pyridylmethyl)amino]-1-benzyl-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C29H31N3O4 MolecularWeight: 485.57414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC2=CC=NC=C2)CC3=CC4=C(C=C3)OC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N(CC2=CC=NC=C2)CC3=CC4=C(C=C3)OC=C4

InChI

InChI=1S/C29H31N3O4/c1-29(2,3)36-28(34)31-25(18-21-7-5-4-6-8-21)27(33)32(19-22-11-14-30-15-12-22)20-23-9-10-26-24(17-23)13-16-35-26/h4-17,25H,18-20H2,1-3H3,(H,31,34)/t25-/m0/s1