methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(4-phenylcyclohexen-1-yl)phenyl]propanoate

Systemtic Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(4-phenylcyclohexen-1-yl)phenyl]propanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-[4-(4-phenylcyclohexen-1-yl)phenyl]propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[4-(4-phenyl-1-cyclohexenyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(4-phenylcyclohexen-1-yl)phenyl]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-[4-(4-phenylcyclohexen-1-yl)phenyl]propionic acid methyl ester Formula: C27H33NO4 MolecularWeight: 435.55522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C2=CCC(CC2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)C2=CCC(CC2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C27H33NO4/c1-27(2,3)32-26(30)28-24(25(29)31-4)18-19-10-12-21(13-11-19)23-16-14-22(15-17-23)20-8-6-5-7-9-20/h5-13,16,22,24H,14-15,17-18H2,1-4H3,(H,28,30)/t22?,24-/m0/s1