2-(phenylmethyl)-2-(1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)propanedioic acid

Systemtic Name: 2-(phenylmethyl)-2-(1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)propanedioic acid Openeye Name: 2-benzyl-2-(1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)propanedioic acid CAS Name: 2-(phenylmethyl)-2-(1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)propanedioic acid IUPAC Name: 2-benzyl-2-(1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)propanedioic acid Traditional Name: 2-benzyl-2-(1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)malonic acid Formula: C22H34N2O8 MolecularWeight: 454.51396

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCOCCN(CCOCCOCCN1)C(CC2=CC=CC=C2)(C(=O)O)C(=O)O

Isomeric SMILES

C1COCCOCCN(CCOCCOCCN1)C(CC2=CC=CC=C2)(C(=O)O)C(=O)O

InChI

InChI=1S/C22H34N2O8/c25-20(26)22(21(27)28,18-19-4-2-1-3-5-19)24-8-12-31-16-14-29-10-6-23-7-11-30-15-17-32-13-9-24/h1-5,23H,6-18H2,(H,25,26)(H,27,28)