4-nitro-3-[4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)phenyl]-1-phenyl-butan-1-one

Systemtic Name: 4-nitro-3-[4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)phenyl]-1-phenyl-butan-1-one Openeye Name: 4-nitro-3-[4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)phenyl]-1-phenyl-butan-1-one CAS Name: 4-nitro-3-[4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)phenyl]-1-phenyl-1-butanone IUPAC Name: 4-nitro-3-[4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)phenyl]-1-phenylbutan-1-one Traditional Name: 4-nitro-3-[4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)phenyl]-1-phenyl-butan-1-one Formula: C29H40N2O8 MolecularWeight: 544.6365

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCOCCOCCOCCOCCN1CC2=CC=C(C=C2)C(CC(=O)C3=CC=CC=C3)C[N+](=O)[O-]

Isomeric SMILES

C1COCCOCCOCCOCCOCCN1CC2=CC=C(C=C2)C(CC(=O)C3=CC=CC=C3)C[N+](=O)[O-]

InChI

InChI=1S/C29H40N2O8/c32-29(27-4-2-1-3-5-27)22-28(24-31(33)34)26-8-6-25(7-9-26)23-30-10-12-35-14-16-37-18-20-39-21-19-38-17-15-36-13-11-30/h1-9,28H,10-24H2