ethyl 4-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]benzenecarboximidate hydrochloride

Systemtic Name: ethyl 4-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]benzenecarboximidate hydrochloride Openeye Name: ethyl 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]benzenecarboximidate hydrochloride CAS Name: 4-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]benzenecarboximidic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]benzenecarboximidate hydrochloride Traditional Name: 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]benzenecarboximidic acid ethyl ester hydrochloride Formula: C21H28ClNO2 MolecularWeight: 361.90552

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C(=N)OCC)C(CC)C2=CC=C(C=C2)O.Cl

Isomeric SMILES

CC[C@@H](C1=CC=C(C=C1)C(=N)OCC)[C@H](CC)C2=CC=C(C=C2)O.Cl

InChI

InChI=1S/C21H27NO2.ClH/c1-4-19(20(5-2)16-11-13-18(23)14-12-16)15-7-9-17(10-8-15)21(22)24-6-3;/h7-14,19-20,22-23H,4-6H2,1-3H3;1H/t19-,20+;/m0./s1