4-[(3S,4R)-8-(aziridin-1-yl)-4-(4-hydroxyphenyl)octan-3-yl]phenol

Systemtic Name: 4-[(3S,4R)-8-(aziridin-1-yl)-4-(4-hydroxyphenyl)octan-3-yl]phenol Openeye Name: 4-[(1S,2R)-6-(aziridin-1-yl)-1-ethyl-2-(4-hydroxyphenyl)hexyl]phenol CAS Name: 4-[(3S,4R)-8-(1-aziridinyl)-4-(4-hydroxyphenyl)octan-3-yl]phenol IUPAC Name: 4-[(3S,4R)-8-(aziridin-1-yl)-4-(4-hydroxyphenyl)octan-3-yl]phenol Traditional Name: 4-[(1S,2R)-1-ethyl-6-ethylenimino-2-(4-hydroxyphenyl)hexyl]phenol Formula: C22H29NO2 MolecularWeight: 339.47116

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)O)C(CCCCN2CC2)C3=CC=C(C=C3)O

Isomeric SMILES

CC[C@H](C1=CC=C(C=C1)O)[C@@H](CCCCN2CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C22H29NO2/c1-2-21(17-6-10-19(24)11-7-17)22(5-3-4-14-23-15-16-23)18-8-12-20(25)13-9-18/h6-13,21-22,24-25H,2-5,14-16H2,1H3/t21-,22+/m1/s1