ethyl (2S)-3-(4-hydroxyphenyl)-2-[[(1S,2R)-2-oxidanylcyclohexyl]amino]propanoate

Systemtic Name: ethyl (2S)-3-(4-hydroxyphenyl)-2-[[(1S,2R)-2-oxidanylcyclohexyl]amino]propanoate Openeye Name: ethyl (2S)-2-[[(1S,2R)-2-hydroxycyclohexyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[(1S,2R)-2-hydroxycyclohexyl]amino]-3-(4-hydroxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(1S,2R)-2-hydroxycyclohexyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[[(1S,2R)-2-hydroxycyclohexyl]amino]-3-(4-hydroxyphenyl)propionic acid ethyl ester Formula: C17H25NO4 MolecularWeight: 307.3847

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)O)NC2CCCCC2O

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=C(C=C1)O)N[C@H]2CCCC[C@H]2O

InChI

InChI=1S/C17H25NO4/c1-2-22-17(21)15(11-12-7-9-13(19)10-8-12)18-14-5-3-4-6-16(14)20/h7-10,14-16,18-20H,2-6,11H2,1H3/t14-,15-,16+/m0/s1