(4-nitrophenyl)methyl 4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-[(3-benzyloxy-4-methoxy-phenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-piperazinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-(3-benzoxy-4-methoxy-benzyl)piperazine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C27H29N3O6 MolecularWeight: 491.53566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OCC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O6/c1-34-25-12-9-23(17-26(25)35-19-21-5-3-2-4-6-21)18-28-13-15-29(16-14-28)27(31)36-20-22-7-10-24(11-8-22)30(32)33/h2-12,17H,13-16,18-20H2,1H3