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

Systemtic Name: 2-[[4-[2,4-bis(oxidanyl)phenyl]cyclohexyl]amino]-3-phenyl-propanoate Openeye Name: 2-[[4-(2,4-dihydroxyphenyl)cyclohexyl]amino]-3-phenyl-propanoate CAS Name: 2-[[4-(2,4-dihydroxyphenyl)cyclohexyl]amino]-3-phenylpropanoate IUPAC Name: 2-[[4-(2,4-dihydroxyphenyl)cyclohexyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4-(2,4-dihydroxyphenyl)cyclohexyl]amino]-3-phenyl-propionate Formula: C21H24NO4- MolecularWeight: 354.41956

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=C(C=C(C=C2)O)O)NC(CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CC(CCC1C2=C(C=C(C=C2)O)O)NC(CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C21H25NO4/c23-17-10-11-18(20(24)13-17)15-6-8-16(9-7-15)22-19(21(25)26)12-14-4-2-1-3-5-14/h1-5,10-11,13,15-16,19,22-24H,6-9,12H2,(H,25,26)/p-1