[2-oxidanylidene-2-[4-(4-propylcyclohexyl)phenyl]ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-oxidanylidene-2-[4-(4-propylcyclohexyl)phenyl]ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: [2-oxo-2-[4-(4-propylcyclohexyl)phenyl]ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-phenylpropanoic acid [2-oxo-2-[4-(4-propylcyclohexyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(4-propylcyclohexyl)phenyl]ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(2-furoylamino)-3-phenyl-propionic acid [2-keto-2-[4-(4-propylcyclohexyl)phenyl]ethyl] ester Formula: C31H35NO5 MolecularWeight: 501.6133

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

CCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C31H35NO5/c1-2-7-22-11-13-24(14-12-22)25-15-17-26(18-16-25)28(33)21-37-31(35)27(20-23-8-4-3-5-9-23)32-30(34)29-10-6-19-36-29/h3-6,8-10,15-19,22,24,27H,2,7,11-14,20-21H2,1H3,(H,32,34)/t22?,24?,27-/m0/s1