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

Systemtic Name: methyl 4-[(E,4R)-5-(cyclopropylmethylamino)-4-methyl-5-oxidanylidene-1-(phenylmethoxycarbonylamino)-2-pyridin-3-yl-pent-2-enyl]benzoate Openeye Name: methyl 4-[(E,4R)-1-(benzyloxycarbonylamino)-5-(cyclopropylmethylamino)-4-methyl-5-oxo-2-(3-pyridyl)pent-2-enyl]benzoate CAS Name: 4-[(E,4R)-5-(cyclopropylmethylamino)-4-methyl-5-oxo-1-(phenylmethoxycarbonylamino)-2-(3-pyridinyl)pent-2-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E,4R)-5-(cyclopropylmethylamino)-4-methyl-5-oxo-1-(phenylmethoxycarbonylamino)-2-pyridin-3-ylpent-2-enyl]benzoate Traditional Name: 4-[(E,4R)-1-(benzyloxycarbonylamino)-5-(cyclopropylmethylamino)-5-keto-4-methyl-2-(3-pyridyl)pent-2-enyl]benzoic acid methyl ester Formula: C31H33N3O5 MolecularWeight: 527.61082

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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)NCC4CC4

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)NCC4CC4

InChI

InChI=1S/C31H33N3O5/c1-21(29(35)33-18-22-10-11-22)17-27(26-9-6-16-32-19-26)28(24-12-14-25(15-13-24)30(36)38-2)34-31(37)39-20-23-7-4-3-5-8-23/h3-9,12-17,19,21-22,28H,10-11,18,20H2,1-2H3,(H,33,35)(H,34,37)/b27-17+/t21-,28?/m1/s1