12-bromanyl-1-[16-(3-phenylpropanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]dodecan-1-one

Systemtic Name: 12-bromanyl-1-[16-(3-phenylpropanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]dodecan-1-one Openeye Name: 12-bromo-1-[16-(3-phenylpropanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]dodecan-1-one CAS Name: 12-bromo-1-[16-(1-oxo-3-phenylpropyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-1-dodecanone IUPAC Name: 12-bromo-1-[16-(3-phenylpropanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]dodecan-1-one Traditional Name: 12-bromo-1-(16-hydrocinnamoyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)dodecan-1-one Formula: C33H55BrN2O6 MolecularWeight: 655.7036

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCOCCN(CCOCCOCCN1C(=O)CCCCCCCCCCCBr)C(=O)CCC2=CC=CC=C2

Isomeric SMILES

C1COCCOCCN(CCOCCOCCN1C(=O)CCCCCCCCCCCBr)C(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C33H55BrN2O6/c34-18-12-7-5-3-1-2-4-6-11-15-32(37)35-19-23-39-27-29-41-25-21-36(22-26-42-30-28-40-24-20-35)33(38)17-16-31-13-9-8-10-14-31/h8-10,13-14H,1-7,11-12,15-30H2