(phenylmethyl) 4-[4-[[(2R)-3-butanoyloxy-2-oxidanyl-propyl]-phenylmethoxycarbonyl-amino]-2-fluoranyl-phenyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[4-[[(2R)-3-butanoyloxy-2-oxidanyl-propyl]-phenylmethoxycarbonyl-amino]-2-fluoranyl-phenyl]piperazine-1-carboxylate Openeye Name: benzyl 4-[4-[benzyloxycarbonyl-[(2R)-3-butanoyloxy-2-hydroxy-propyl]amino]-2-fluoro-phenyl]piperazine-1-carboxylate CAS Name: 4-[2-fluoro-4-[[(2R)-2-hydroxy-3-(1-oxobutoxy)propyl]-phenylmethoxycarbonylamino]phenyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[4-[[(2R)-3-butanoyloxy-2-hydroxypropyl]-phenylmethoxycarbonylamino]-2-fluorophenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[(2R)-3-butyryloxy-2-hydroxy-propyl]-carbobenzoxy-amino]-2-fluoro-phenyl]piperazine-1-carboxylic acid benzyl ester Formula: C33H38FN3O7 MolecularWeight: 607.669123

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(CN(C1=CC(=C(C=C1)N2CCN(CC2)C(=O)OCC3=CC=CC=C3)F)C(=O)OCC4=CC=CC=C4)O

Isomeric SMILES

CCCC(=O)OC[C@@H](CN(C1=CC(=C(C=C1)N2CCN(CC2)C(=O)OCC3=CC=CC=C3)F)C(=O)OCC4=CC=CC=C4)O

InChI

InChI=1S/C33H38FN3O7/c1-2-9-31(39)42-24-28(38)21-37(33(41)44-23-26-12-7-4-8-13-26)27-14-15-30(29(34)20-27)35-16-18-36(19-17-35)32(40)43-22-25-10-5-3-6-11-25/h3-8,10-15,20,28,38H,2,9,16-19,21-24H2,1H3/t28-/m1/s1