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

Systemtic Name: methyl (2S)-2-[(5-bromanyl-2-cyclohexyloxy-phenyl)carbonylamino]-3-[4-(2-phenoxyphenyl)phenyl]propanoate Openeye Name: methyl (2S)-2-[[5-bromo-2-(cyclohexoxy)benzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoate CAS Name: (2S)-2-[[(5-bromo-2-cyclohexyloxyphenyl)-oxomethyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(5-bromo-2-cyclohexyloxybenzoyl)amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoate Traditional Name: (2S)-2-[[5-bromo-2-(cyclohexoxy)benzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propionic acid methyl ester Formula: C35H34BrNO5 MolecularWeight: 628.55216

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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)OC5CCCCC5

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)OC5CCCCC5

InChI

InChI=1S/C35H34BrNO5/c1-40-35(39)31(37-34(38)30-23-26(36)20-21-33(30)42-28-12-6-3-7-13-28)22-24-16-18-25(19-17-24)29-14-8-9-15-32(29)41-27-10-4-2-5-11-27/h2,4-5,8-11,14-21,23,28,31H,3,6-7,12-13,22H2,1H3,(H,37,38)/t31-/m0/s1