tert-butyl N-[3-[2-[[4-[[2-[[4-(3-cyano-1,5-dimethyl-pyrrol-2-yl)phenyl]methoxy]-4-methyl-phenyl]-methyl-carbamoyl]-2-methoxy-phenyl]carbamoyl]phenoxy]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[2-[[4-[[2-[[4-(3-cyano-1,5-dimethyl-pyrrol-2-yl)phenyl]methoxy]-4-methyl-phenyl]-methyl-carbamoyl]-2-methoxy-phenyl]carbamoyl]phenoxy]propyl]carbamate Openeye Name: tert-butyl N-[3-[2-[[4-[[2-[[4-(3-cyano-1,5-dimethyl-pyrrol-2-yl)phenyl]methoxy]-4-methyl-phenyl]-methyl-carbamoyl]-2-methoxy-phenyl]carbamoyl]phenoxy]propyl]carbamate CAS Name: N-[3-[2-[[4-[[2-[[4-(3-cyano-1,5-dimethyl-2-pyrrolyl)phenyl]methoxy]-N,4-dimethylanilino]-oxomethyl]-2-methoxyanilino]-oxomethyl]phenoxy]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[2-[[4-[[2-[[4-(3-cyano-1,5-dimethylpyrrol-2-yl)phenyl]methoxy]-4-methylphenyl]-methylcarbamoyl]-2-methoxyphenyl]carbamoyl]phenoxy]propyl]carbamate Traditional Name: N-[3-[2-[[4-[[2-[4-(3-cyano-1,5-dimethyl-pyrrol-2-yl)benzyl]oxy-4-methyl-phenyl]-methyl-carbamoyl]-2-methoxy-phenyl]carbamoyl]phenoxy]propyl]carbamic acid tert-butyl ester Formula: C45H49N5O7 MolecularWeight: 771.89986

Click to see the large picture

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)OCC4=CC=C(C=C4)C5=C(C=C(N5C)C)C#N

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)OCC4=CC=C(C=C4)C5=C(C=C(N5C)C)C#N

InChI

InChI=1S/C45H49N5O7/c1-29-14-21-37(40(24-29)56-28-31-15-17-32(18-16-31)41-34(27-46)25-30(2)49(41)6)50(7)43(52)33-19-20-36(39(26-33)54-8)48-42(51)35-12-9-10-13-38(35)55-23-11-22-47-44(53)57-45(3,4)5/h9-10,12-21,24-26H,11,22-23,28H2,1-8H3,(H,47,53)(H,48,51)