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

Systemtic Name: methyl 4-[(E,4R)-5-(cyclohexylamino)-4-methyl-5-oxidanylidene-1-(phenylmethoxycarbonylamino)-2-pyridin-3-yl-pent-2-enyl]benzoate Openeye Name: methyl 4-[(E,4R)-1-(benzyloxycarbonylamino)-5-(cyclohexylamino)-4-methyl-5-oxo-2-(3-pyridyl)pent-2-enyl]benzoate CAS Name: 4-[(E,4R)-5-(cyclohexylamino)-4-methyl-5-oxo-1-(phenylmethoxycarbonylamino)-2-(3-pyridinyl)pent-2-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E,4R)-5-(cyclohexylamino)-4-methyl-5-oxo-1-(phenylmethoxycarbonylamino)-2-pyridin-3-ylpent-2-enyl]benzoate Traditional Name: 4-[(E,4R)-1-(benzyloxycarbonylamino)-5-(cyclohexylamino)-5-keto-4-methyl-2-(3-pyridyl)pent-2-enyl]benzoic acid methyl ester Formula: C33H37N3O5 MolecularWeight: 555.66398

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)NC4CCCCC4

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)NC4CCCCC4

InChI

InChI=1S/C33H37N3O5/c1-23(31(37)35-28-13-7-4-8-14-28)20-29(27-12-9-19-34-21-27)30(25-15-17-26(18-16-25)32(38)40-2)36-33(39)41-22-24-10-5-3-6-11-24/h3,5-6,9-12,15-21,23,28,30H,4,7-8,13-14,22H2,1-2H3,(H,35,37)(H,36,39)/b29-20+/t23-,30?/m1/s1