methyl 4-[(E,4R)-4-methyl-5-oxidanylidene-1-(phenylmethoxycarbonylamino)-5-(2-pyrrolidin-1-ylethylamino)pent-2-enyl]benzoate

Systemtic Name: methyl 4-[(E,4R)-4-methyl-5-oxidanylidene-1-(phenylmethoxycarbonylamino)-5-(2-pyrrolidin-1-ylethylamino)pent-2-enyl]benzoate Openeye Name: methyl 4-[(E,4R)-1-(benzyloxycarbonylamino)-4-methyl-5-oxo-5-(2-pyrrolidin-1-ylethylamino)pent-2-enyl]benzoate CAS Name: 4-[(E,4R)-4-methyl-5-oxo-1-(phenylmethoxycarbonylamino)-5-[2-(1-pyrrolidinyl)ethylamino]pent-2-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E,4R)-4-methyl-5-oxo-1-(phenylmethoxycarbonylamino)-5-(2-pyrrolidin-1-ylethylamino)pent-2-enyl]benzoate Traditional Name: 4-[(E,4R)-1-(benzyloxycarbonylamino)-5-keto-4-methyl-5-(2-pyrrolidinoethylamino)pent-2-enyl]benzoic acid methyl ester Formula: C28H35N3O5 MolecularWeight: 493.5946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC(C1=CC=C(C=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2)C(=O)NCCN3CCCC3

Isomeric SMILES

C[C@H](/C=C/C(C1=CC=C(C=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2)C(=O)NCCN3CCCC3

InChI

InChI=1S/C28H35N3O5/c1-21(26(32)29-16-19-31-17-6-7-18-31)10-15-25(23-11-13-24(14-12-23)27(33)35-2)30-28(34)36-20-22-8-4-3-5-9-22/h3-5,8-15,21,25H,6-7,16-20H2,1-2H3,(H,29,32)(H,30,34)/b15-10+/t21-,25?/m1/s1