methyl 12-[16-(phenylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]dodecanoate

Systemtic Name: methyl 12-[16-(phenylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]dodecanoate Openeye Name: methyl 12-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)dodecanoate CAS Name: 12-[16-(phenylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]dodecanoic acid methyl ester IUPAC Name: methyl 12-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)dodecanoate Traditional Name: 12-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)lauric acid methyl ester Formula: C32H56N2O6 MolecularWeight: 564.79684

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCCCCCN1CCOCCOCCN(CCOCCOCC1)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCCCCCCCCCN1CCOCCOCCN(CCOCCOCC1)CC2=CC=CC=C2

InChI

InChI=1S/C32H56N2O6/c1-36-32(35)16-12-7-5-3-2-4-6-8-13-17-33-18-22-37-26-28-39-24-20-34(30-31-14-10-9-11-15-31)21-25-40-29-27-38-23-19-33/h9-11,14-15H,2-8,12-13,16-30H2,1H3