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

Systemtic Name: methyl 4-[(E,4R)-4-methyl-5-(methylamino)-5-oxidanylidene-1-(phenylmethoxycarbonylamino)-2-pyridin-3-yl-pent-2-enyl]benzoate Openeye Name: methyl 4-[(E,4R)-1-(benzyloxycarbonylamino)-4-methyl-5-(methylamino)-5-oxo-2-(3-pyridyl)pent-2-enyl]benzoate CAS Name: 4-[(E,4R)-4-methyl-5-(methylamino)-5-oxo-1-(phenylmethoxycarbonylamino)-2-(3-pyridinyl)pent-2-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E,4R)-4-methyl-5-(methylamino)-5-oxo-1-(phenylmethoxycarbonylamino)-2-pyridin-3-ylpent-2-enyl]benzoate Traditional Name: 4-[(E,4R)-1-(benzyloxycarbonylamino)-5-keto-4-methyl-5-(methylamino)-2-(3-pyridyl)pent-2-enyl]benzoic acid methyl ester Formula: C28H29N3O5 MolecularWeight: 487.54696

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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)NC

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)NC

InChI

InChI=1S/C28H29N3O5/c1-19(26(32)29-2)16-24(23-10-7-15-30-17-23)25(21-11-13-22(14-12-21)27(33)35-3)31-28(34)36-18-20-8-5-4-6-9-20/h4-17,19,25H,18H2,1-3H3,(H,29,32)(H,31,34)/b24-16+/t19-,25?/m1/s1