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

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

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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=CN=CC=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=CN=CC=C4

InChI

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