methyl (2S)-2-[[5-bromanyl-2-(2-piperidin-1-ylethoxy)phenyl]carbonylamino]-3-[4-(2-phenoxyphenyl)phenyl]propanoate

Systemtic Name: methyl (2S)-2-[[5-bromanyl-2-(2-piperidin-1-ylethoxy)phenyl]carbonylamino]-3-[4-(2-phenoxyphenyl)phenyl]propanoate Openeye Name: methyl (2S)-2-[[5-bromo-2-[2-(1-piperidyl)ethoxy]benzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoate CAS Name: (2S)-2-[[[5-bromo-2-[2-(1-piperidinyl)ethoxy]phenyl]-oxomethyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[5-bromo-2-(2-piperidin-1-ylethoxy)benzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoate Traditional Name: (2S)-2-[[5-bromo-2-(2-piperidinoethoxy)benzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propionic acid methyl ester Formula: C36H37BrN2O5 MolecularWeight: 657.59338

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)C2=CC=CC=C2OC3=CC=CC=C3)NC(=O)C4=C(C=CC(=C4)Br)OCCN5CCCCC5

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)C2=CC=CC=C2OC3=CC=CC=C3)NC(=O)C4=C(C=CC(=C4)Br)OCCN5CCCCC5

InChI

InChI=1S/C36H37BrN2O5/c1-42-36(41)32(38-35(40)31-25-28(37)18-19-33(31)43-23-22-39-20-8-3-9-21-39)24-26-14-16-27(17-15-26)30-12-6-7-13-34(30)44-29-10-4-2-5-11-29/h2,4-7,10-19,25,32H,3,8-9,20-24H2,1H3,(H,38,40)/t32-/m0/s1