tert-butyl N-[3-[2-[[2-methoxy-4-[methyl-[4-methyl-2-[4-(phenoxycarbonylamino)butoxy]phenyl]carbamoyl]phenyl]carbamoyl]phenoxy]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[2-[[2-methoxy-4-[methyl-[4-methyl-2-[4-(phenoxycarbonylamino)butoxy]phenyl]carbamoyl]phenyl]carbamoyl]phenoxy]propyl]carbamate Openeye Name: phenyl N-[4-[2-[[4-[[2-[3-(tert-butoxycarbonylamino)propoxy]benzoyl]amino]-3-methoxy-benzoyl]-methyl-amino]-5-methyl-phenoxy]butyl]carbamate CAS Name: N-[3-[2-[[4-[[N,4-dimethyl-2-[4-[[oxo(phenoxy)methyl]amino]butoxy]anilino]-oxomethyl]-2-methoxyanilino]-oxomethyl]phenoxy]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[2-[[2-methoxy-4-[methyl-[4-methyl-2-[4-(phenoxycarbonylamino)butoxy]phenyl]carbamoyl]phenyl]carbamoyl]phenoxy]propyl]carbamate Traditional Name: N-[4-[2-[[4-[[2-[3-(tert-butoxycarbonylamino)propoxy]benzoyl]amino]-3-methoxy-benzoyl]-methyl-amino]-5-methyl-phenoxy]butyl]carbamic acid phenyl ester Formula: C42H50N4O9 MolecularWeight: 754.8678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3OCCCNC(=O)OC(C)(C)C)OC)OCCCCNC(=O)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3OCCCNC(=O)OC(C)(C)C)OC)OCCCCNC(=O)OC4=CC=CC=C4

InChI

InChI=1S/C42H50N4O9/c1-29-19-22-34(37(27-29)53-25-13-12-23-43-40(49)54-31-15-8-7-9-16-31)46(5)39(48)30-20-21-33(36(28-30)51-6)45-38(47)32-17-10-11-18-35(32)52-26-14-24-44-41(50)55-42(2,3)4/h7-11,15-22,27-28H,12-14,23-26H2,1-6H3,(H,43,49)(H,44,50)(H,45,47)