ethyl 2-[[10-(2-ethoxycarbonylphenyl)carbonyl-1,7-dioxa-4,10-diazacyclododec-4-yl]carbonyl]benzoate

Systemtic Name: ethyl 2-[[10-(2-ethoxycarbonylphenyl)carbonyl-1,7-dioxa-4,10-diazacyclododec-4-yl]carbonyl]benzoate Openeye Name: ethyl 2-[10-(2-ethoxycarbonylbenzoyl)-1,7-dioxa-4,10-diazacyclododecane-4-carbonyl]benzoate CAS Name: 2-[[10-[(2-ethoxycarbonylphenyl)-oxomethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]-oxomethyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[10-(2-ethoxycarbonylbenzoyl)-1,7-dioxa-4,10-diazacyclododecane-4-carbonyl]benzoate Traditional Name: 2-[10-(2-carbethoxybenzoyl)-1,7-dioxa-4,10-diazacyclododecane-4-carbonyl]benzoic acid ethyl ester Formula: C28H34N2O8 MolecularWeight: 526.57816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1C(=O)N2CCOCCN(CCOCC2)C(=O)C3=CC=CC=C3C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1C(=O)N2CCOCCN(CCOCC2)C(=O)C3=CC=CC=C3C(=O)OCC

InChI

InChI=1S/C28H34N2O8/c1-3-37-27(33)23-11-7-5-9-21(23)25(31)29-13-17-35-19-15-30(16-20-36-18-14-29)26(32)22-10-6-8-12-24(22)28(34)38-4-2/h5-12H,3-4,13-20H2,1-2H3