cyclohexylazanium; (2S)-2-(ethoxycarbonylamino)-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: cyclohexylazanium; (2S)-2-(ethoxycarbonylamino)-3-(4-hydroxyphenyl)propanoic acid Openeye Name: cyclohexylammonium; (2S)-2-(ethoxycarbonylamino)-3-(4-hydroxyphenyl)propanoic acid CAS Name: cyclohexylammonium; (2S)-2-(ethoxycarbonylamino)-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: cyclohexylazanium; (2S)-2-(ethoxycarbonylamino)-3-(4-hydroxyphenyl)propanoic acid Traditional Name: (2S)-2-(carbethoxyamino)-3-(4-hydroxyphenyl)propionic acid; cyclohexylammonium Formula: C18H29N2O5+ MolecularWeight: 353.43326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O.C1CCC(CC1)[NH3+]

Isomeric SMILES

CCOC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O.C1CCC(CC1)[NH3+]

InChI

InChI=1S/C12H15NO5.C6H13N/c1-2-18-12(17)13-10(11(15)16)7-8-3-5-9(14)6-4-8;7-6-4-2-1-3-5-6/h3-6,10,14H,2,7H2,1H3,(H,13,17)(H,15,16);6H,1-5,7H2/p+1/t10-;/m0./s1