(2S)-2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoic acid; methyl (2S)-2-azanyl-3-(4-hydroxyphenyl)propanoate

Systemtic Name: (2S)-2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoic acid; methyl (2S)-2-azanyl-3-(4-hydroxyphenyl)propanoate Openeye Name: (2S)-2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid; methyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid methyl ester; (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetic acid IUPAC Name: (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetic acid; methyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-amino-3-(4-hydroxyphenyl)propionic acid methyl ester; (2S)-2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid Formula: C24H31NO6 MolecularWeight: 429.50604

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)O)N.C1CCC(CC1)C(C2=CC=CC=C2)(C(=O)O)O

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)O)N.C1CCC(CC1)[C@](C2=CC=CC=C2)(C(=O)O)O

InChI

InChI=1S/C14H18O3.C10H13NO3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-14-10(13)9(11)6-7-2-4-8(12)5-3-7/h1,3-4,7-8,12,17H,2,5-6,9-10H2,(H,15,16);2-5,9,12H,6,11H2,1H3/t14-;9-/m10/s1