(phenylmethyl) 16-[(4-nitrophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carboxylate

Systemtic Name: (phenylmethyl) 16-[(4-nitrophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carboxylate Openeye Name: benzyl 16-[(4-nitrophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carboxylate CAS Name: 16-[(4-nitrophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 16-[(4-nitrophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carboxylate Traditional Name: 16-(4-nitrobenzyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carboxylic acid benzyl ester Formula: C27H37N3O8 MolecularWeight: 531.59798

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCOCCN(CCOCCOCCN1CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1COCCOCCN(CCOCCOCCN1CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H37N3O8/c31-27(38-23-25-4-2-1-3-5-25)29-12-16-36-20-18-34-14-10-28(11-15-35-19-21-37-17-13-29)22-24-6-8-26(9-7-24)30(32)33/h1-9H,10-23H2