ethyl N-[5-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]-2-oxidanyl-phenyl]carbamate

Systemtic Name: ethyl N-[5-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]-2-oxidanyl-phenyl]carbamate Openeye Name: ethyl N-[5-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]-2-hydroxy-phenyl]carbamate CAS Name: N-[2-hydroxy-5-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-hydroxy-5-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]phenyl]carbamate Traditional Name: N-[5-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]-2-hydroxy-phenyl]carbamic acid ethyl ester Formula: C21H27NO4 MolecularWeight: 356.444114

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)O)C(CC)C2=CC(=C(C=C2)O)NC(=O)OCC

Isomeric SMILES

CC[C@H](C1=CC=C(C=C1)O)[C@@H](CC)C2=CC(=C(C=C2)O)N[11C](=O)OCC

InChI

InChI=1S/C21H27NO4/c1-4-17(14-7-10-16(23)11-8-14)18(5-2)15-9-12-20(24)19(13-15)22-21(25)26-6-3/h7-13,17-18,23-24H,4-6H2,1-3H3,(H,22,25)/t17-,18+/m1/s1/i21-1