(phenylmethyl) 16-(3,5-dimethoxyphenyl)carbonyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carboxylate

Systemtic Name: (phenylmethyl) 16-(3,5-dimethoxyphenyl)carbonyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carboxylate Openeye Name: benzyl 16-(3,5-dimethoxybenzoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carboxylate CAS Name: 16-[(3,5-dimethoxyphenyl)-oxomethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 16-(3,5-dimethoxybenzoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carboxylate Traditional Name: 16-(3,5-dimethoxybenzoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carboxylic acid benzyl ester Formula: C29H40N2O9 MolecularWeight: 560.6359

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N2CCOCCOCCN(CCOCCOCC2)C(=O)OCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2CCOCCOCCN(CCOCCOCC2)C(=O)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C29H40N2O9/c1-34-26-20-25(21-27(22-26)35-2)28(32)30-8-12-36-16-18-38-14-10-31(11-15-39-19-17-37-13-9-30)29(33)40-23-24-6-4-3-5-7-24/h3-7,20-22H,8-19,23H2,1-2H3