4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[3-[2-methoxy-2-(4-nitrophenoxy)-3-oxidanylidene-3-phenylazanyl-propanoyl]phenyl]butanamide

Systemtic Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[3-[2-methoxy-2-(4-nitrophenoxy)-3-oxidanylidene-3-phenylazanyl-propanoyl]phenyl]butanamide Openeye Name: N-[3-[3-anilino-2-methoxy-2-(4-nitrophenoxy)-3-oxo-propanoyl]phenyl]-4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanamide CAS Name: N-[3-[3-anilino-2-methoxy-2-(4-nitrophenoxy)-1,3-dioxopropyl]phenyl]-4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamide IUPAC Name: N-[3-[3-anilino-2-methoxy-2-(4-nitrophenoxy)-3-oxopropanoyl]phenyl]-4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamide Traditional Name: N-[3-[3-anilino-3-keto-2-methoxy-2-(4-nitrophenoxy)propanoyl]phenyl]-4-(2,4-ditert-amylphenoxy)butyramide Formula: C42H49N3O8 MolecularWeight: 723.85376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC=CC(=C2)C(=O)C(C(=O)NC3=CC=CC=C3)(OC)OC4=CC=C(C=C4)[N+](=O)[O-])C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC=CC(=C2)C(=O)C(C(=O)NC3=CC=CC=C3)(OC)OC4=CC=C(C=C4)[N+](=O)[O-])C(C)(C)CC

InChI

InChI=1S/C42H49N3O8/c1-8-40(3,4)30-20-25-36(35(28-30)41(5,6)9-2)52-26-14-19-37(46)43-32-18-13-15-29(27-32)38(47)42(51-7,39(48)44-31-16-11-10-12-17-31)53-34-23-21-33(22-24-34)45(49)50/h10-13,15-18,20-25,27-28H,8-9,14,19,26H2,1-7H3,(H,43,46)(H,44,48)