methyl 4-[(E,4R)-4-methyl-5-oxidanylidene-1-(phenylmethoxycarbonylamino)-2-pyridin-3-yl-5-(pyridin-4-ylmethylamino)pent-2-enyl]benzoate

Systemtic Name: methyl 4-[(E,4R)-4-methyl-5-oxidanylidene-1-(phenylmethoxycarbonylamino)-2-pyridin-3-yl-5-(pyridin-4-ylmethylamino)pent-2-enyl]benzoate Openeye Name: methyl 4-[(E,4R)-1-(benzyloxycarbonylamino)-4-methyl-5-oxo-2-(3-pyridyl)-5-(4-pyridylmethylamino)pent-2-enyl]benzoate CAS Name: 4-[(E,4R)-4-methyl-5-oxo-1-(phenylmethoxycarbonylamino)-2-(3-pyridinyl)-5-(pyridin-4-ylmethylamino)pent-2-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E,4R)-4-methyl-5-oxo-1-(phenylmethoxycarbonylamino)-2-pyridin-3-yl-5-(pyridin-4-ylmethylamino)pent-2-enyl]benzoate Traditional Name: 4-[(E,4R)-1-(benzyloxycarbonylamino)-5-keto-4-methyl-2-(3-pyridyl)-5-(4-pyridylmethylamino)pent-2-enyl]benzoic acid methyl ester Formula: C33H32N4O5 MolecularWeight: 564.63098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C=C(C1=CN=CC=C1)C(C2=CC=C(C=C2)C(=O)OC)NC(=O)OCC3=CC=CC=C3)C(=O)NCC4=CC=NC=C4

Isomeric SMILES

C[C@H](/C=C(\C1=CN=CC=C1)/C(C2=CC=C(C=C2)C(=O)OC)NC(=O)OCC3=CC=CC=C3)C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C33H32N4O5/c1-23(31(38)36-20-24-14-17-34-18-15-24)19-29(28-9-6-16-35-21-28)30(26-10-12-27(13-11-26)32(39)41-2)37-33(40)42-22-25-7-4-3-5-8-25/h3-19,21,23,30H,20,22H2,1-2H3,(H,36,38)(H,37,40)/b29-19+/t23-,30?/m1/s1