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

Systemtic Name: methyl 4-[(E,4R)-5-(2-methoxyethylamino)-4-methyl-5-oxidanylidene-1-(phenylmethoxycarbonylamino)-2-pyridin-3-yl-pent-2-enyl]benzoate Openeye Name: methyl 4-[(E,4R)-1-(benzyloxycarbonylamino)-5-(2-methoxyethylamino)-4-methyl-5-oxo-2-(3-pyridyl)pent-2-enyl]benzoate CAS Name: 4-[(E,4R)-5-(2-methoxyethylamino)-4-methyl-5-oxo-1-(phenylmethoxycarbonylamino)-2-(3-pyridinyl)pent-2-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E,4R)-5-(2-methoxyethylamino)-4-methyl-5-oxo-1-(phenylmethoxycarbonylamino)-2-pyridin-3-ylpent-2-enyl]benzoate Traditional Name: 4-[(E,4R)-1-(benzyloxycarbonylamino)-5-keto-5-(2-methoxyethylamino)-4-methyl-2-(3-pyridyl)pent-2-enyl]benzoic acid methyl ester Formula: C30H33N3O6 MolecularWeight: 531.59952

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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)NCCOC

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)NCCOC

InChI

InChI=1S/C30H33N3O6/c1-21(28(34)32-16-17-37-2)18-26(25-10-7-15-31-19-25)27(23-11-13-24(14-12-23)29(35)38-3)33-30(36)39-20-22-8-5-4-6-9-22/h4-15,18-19,21,27H,16-17,20H2,1-3H3,(H,32,34)(H,33,36)/b26-18+/t21-,27?/m1/s1