methyl (2S)-2-benzamido-3-[4-(6-oxidanylidene-5-phenylselanyl-cyclohexen-1-yl)oxyphenyl]propanoate

Systemtic Name: methyl (2S)-2-benzamido-3-[4-(6-oxidanylidene-5-phenylselanyl-cyclohexen-1-yl)oxyphenyl]propanoate Openeye Name: methyl (2S)-2-benzamido-3-[4-(6-oxo-5-phenylselanyl-cyclohexen-1-yl)oxyphenyl]propanoate CAS Name: (2S)-2-benzamido-3-[4-[[6-oxo-5-(phenylseleno)-1-cyclohexenyl]oxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-benzamido-3-[4-(6-oxo-5-phenylselanylcyclohexen-1-yl)oxyphenyl]propanoate Traditional Name: (2S)-2-benzamido-3-[4-[6-keto-5-(phenylseleno)cyclohexen-1-yl]oxyphenyl]propionic acid methyl ester Formula: C29H27NO5Se MolecularWeight: 548.48838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OC2=CCCC(C2=O)[Se]C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)OC2=CCCC(C2=O)[Se]C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H27NO5Se/c1-34-29(33)24(30-28(32)21-9-4-2-5-10-21)19-20-15-17-22(18-16-20)35-25-13-8-14-26(27(25)31)36-23-11-6-3-7-12-23/h2-7,9-13,15-18,24,26H,8,14,19H2,1H3,(H,30,32)/t24-,26?/m0/s1