tert-butyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-10-[2-(9-oxidanylideneacridin-10-yl)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-10-[2-(9-oxidanylideneacridin-10-yl)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoate Openeye Name: tert-butyl 2-[4,7-bis(2-tert-butoxy-2-oxo-ethyl)-10-[2-(9-oxoacridin-10-yl)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate CAS Name: 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-10-[2-(9-oxo-10-acridinyl)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-10-[2-(9-oxoacridin-10-yl)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate Traditional Name: 2-[4,7-bis(2-tert-butoxy-2-keto-ethyl)-10-[2-(9-ketoacridin-10-yl)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid tert-butyl ester Formula: C41H61N5O7 MolecularWeight: 735.95234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CCN2C3=CC=CC=C3C(=O)C4=CC=CC=C42

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CCN2C3=CC=CC=C3C(=O)C4=CC=CC=C42

InChI

InChI=1S/C41H61N5O7/c1-39(2,3)51-35(47)28-43-20-18-42(26-27-46-33-16-12-10-14-31(33)38(50)32-15-11-13-17-34(32)46)19-21-44(29-36(48)52-40(4,5)6)23-25-45(24-22-43)30-37(49)53-41(7,8)9/h10-17H,18-30H2,1-9H3