methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(6-oxidanylidenecyclohexen-1-yl)oxyphenyl]propanoate

Systemtic Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(6-oxidanylidenecyclohexen-1-yl)oxyphenyl]propanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-[4-(6-oxocyclohexen-1-yl)oxyphenyl]propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[4-[(6-oxo-1-cyclohexenyl)oxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(6-oxocyclohexen-1-yl)oxyphenyl]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-[4-(6-ketocyclohexen-1-yl)oxyphenyl]propionic acid methyl ester Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OC2=CCCCC2=O)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OC2=CCCCC2=O)C(=O)OC

InChI

InChI=1S/C21H27NO6/c1-21(2,3)28-20(25)22-16(19(24)26-4)13-14-9-11-15(12-10-14)27-18-8-6-5-7-17(18)23/h8-12,16H,5-7,13H2,1-4H3,(H,22,25)/t16-/m0/s1