cyclohexyl 3-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-2-(4-phenylbutan-2-ylamino)propanoate

Systemtic Name: cyclohexyl 3-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-2-(4-phenylbutan-2-ylamino)propanoate Openeye Name: cyclohexyl 3-(3,4-dihydroxyphenyl)-3-hydroxy-2-[(1-methyl-3-phenyl-propyl)amino]propanoate CAS Name: 3-(3,4-dihydroxyphenyl)-3-hydroxy-2-(4-phenylbutan-2-ylamino)propanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 3-(3,4-dihydroxyphenyl)-3-hydroxy-2-(4-phenylbutan-2-ylamino)propanoate Traditional Name: 3-(3,4-dihydroxyphenyl)-3-hydroxy-2-[(1-methyl-3-phenyl-propyl)amino]propionic acid cyclohexyl ester Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(C(C2=CC(=C(C=C2)O)O)O)C(=O)OC3CCCCC3

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(C(C2=CC(=C(C=C2)O)O)O)C(=O)OC3CCCCC3

InChI

InChI=1S/C25H33NO5/c1-17(12-13-18-8-4-2-5-9-18)26-23(25(30)31-20-10-6-3-7-11-20)24(29)19-14-15-21(27)22(28)16-19/h2,4-5,8-9,14-17,20,23-24,26-29H,3,6-7,10-13H2,1H3