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

Systemtic Name: methyl 4-[(E,4R)-5-(dimethylamino)-4-methyl-5-oxidanylidene-1-(phenylmethoxycarbonylamino)-2-pyridin-3-yl-pent-2-enyl]benzoate Openeye Name: methyl 4-[(E,4R)-1-(benzyloxycarbonylamino)-5-(dimethylamino)-4-methyl-5-oxo-2-(3-pyridyl)pent-2-enyl]benzoate CAS Name: 4-[(E,4R)-5-(dimethylamino)-4-methyl-5-oxo-1-(phenylmethoxycarbonylamino)-2-(3-pyridinyl)pent-2-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E,4R)-5-(dimethylamino)-4-methyl-5-oxo-1-(phenylmethoxycarbonylamino)-2-pyridin-3-ylpent-2-enyl]benzoate Traditional Name: 4-[(E,4R)-1-(benzyloxycarbonylamino)-5-(dimethylamino)-5-keto-4-methyl-2-(3-pyridyl)pent-2-enyl]benzoic acid methyl ester Formula: C29H31N3O5 MolecularWeight: 501.57354

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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)N(C)C

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)N(C)C

InChI

InChI=1S/C29H31N3O5/c1-20(27(33)32(2)3)17-25(24-11-8-16-30-18-24)26(22-12-14-23(15-13-22)28(34)36-4)31-29(35)37-19-21-9-6-5-7-10-21/h5-18,20,26H,19H2,1-4H3,(H,31,35)/b25-17+/t20-,26?/m1/s1