2-[(3S)-3-[[(1R)-1-phenylethyl]amino]heptan-3-yl]phenol

Systemtic Name: 2-[(3S)-3-[[(1R)-1-phenylethyl]amino]heptan-3-yl]phenol Openeye Name: 2-[(1S)-1-ethyl-1-[[(1R)-1-phenylethyl]amino]pentyl]phenol CAS Name: 2-[(3S)-3-[[(1R)-1-phenylethyl]amino]heptan-3-yl]phenol IUPAC Name: 2-[(3S)-3-[[(1R)-1-phenylethyl]amino]heptan-3-yl]phenol Traditional Name: 2-[(1S)-1-ethyl-1-[[(1R)-1-phenylethyl]amino]pentyl]phenol Formula: C21H29NO MolecularWeight: 311.46106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(C1=CC=CC=C1O)NC(C)C2=CC=CC=C2

Isomeric SMILES

CCCC[C@@](CC)(C1=CC=CC=C1O)N[C@H](C)C2=CC=CC=C2

InChI

InChI=1S/C21H29NO/c1-4-6-16-21(5-2,19-14-10-11-15-20(19)23)22-17(3)18-12-8-7-9-13-18/h7-15,17,22-23H,4-6,16H2,1-3H3/t17-,21+/m1/s1