phenyl 2-[bis[2-[bis(2-oxidanylidene-2-phenoxy-ethyl)amino]ethyl]amino]ethanoate

Systemtic Name: phenyl 2-[bis[2-[bis(2-oxidanylidene-2-phenoxy-ethyl)amino]ethyl]amino]ethanoate Openeye Name: phenyl 2-[bis[2-[bis(2-oxo-2-phenoxy-ethyl)amino]ethyl]amino]acetate CAS Name: 2-[bis[2-[bis(2-oxo-2-phenoxyethyl)amino]ethyl]amino]acetic acid phenyl ester IUPAC Name: phenyl 2-[bis[2-[bis(2-oxo-2-phenoxyethyl)amino]ethyl]amino]acetate Traditional Name: 2-[bis[2-[bis(2-keto-2-phenoxy-ethyl)amino]ethyl]amino]acetic acid phenyl ester Formula: C44H43N3O10 MolecularWeight: 773.82632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)CN(CCN(CC(=O)OC2=CC=CC=C2)CC(=O)OC3=CC=CC=C3)CCN(CC(=O)OC4=CC=CC=C4)CC(=O)OC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)CN(CCN(CC(=O)OC2=CC=CC=C2)CC(=O)OC3=CC=CC=C3)CCN(CC(=O)OC4=CC=CC=C4)CC(=O)OC5=CC=CC=C5

InChI

InChI=1S/C44H43N3O10/c48-40(53-35-16-6-1-7-17-35)30-45(26-28-46(31-41(49)54-36-18-8-2-9-19-36)32-42(50)55-37-20-10-3-11-21-37)27-29-47(33-43(51)56-38-22-12-4-13-23-38)34-44(52)57-39-24-14-5-15-25-39/h1-25H,26-34H2