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

Systemtic Name: [4-[2,4-bis(oxidanyl)phenyl]cyclohexyl] 2-azanyl-3-phenyl-propanoate Openeye Name: [4-(2,4-dihydroxyphenyl)cyclohexyl] 2-amino-3-phenyl-propanoate CAS Name: 2-amino-3-phenylpropanoic acid [4-(2,4-dihydroxyphenyl)cyclohexyl] ester IUPAC Name: [4-(2,4-dihydroxyphenyl)cyclohexyl] 2-amino-3-phenylpropanoate Traditional Name: 2-amino-3-phenyl-propionic acid [4-(2,4-dihydroxyphenyl)cyclohexyl] ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=C(C=C(C=C2)O)O)OC(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

C1CC(CCC1C2=C(C=C(C=C2)O)O)OC(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C21H25NO4/c22-19(12-14-4-2-1-3-5-14)21(25)26-17-9-6-15(7-10-17)18-11-8-16(23)13-20(18)24/h1-5,8,11,13,15,17,19,23-24H,6-7,9-10,12,22H2