(E)-4-[[(3R,4R)-3-(hydroxymethyl)heptan-4-yl]amino]-7-phenylmethoxy-hept-3-en-2-one

Systemtic Name: (E)-4-[[(3R,4R)-3-(hydroxymethyl)heptan-4-yl]amino]-7-phenylmethoxy-hept-3-en-2-one Openeye Name: (E)-7-benzyloxy-4-[[(1R,2R)-2-(hydroxymethyl)-1-propyl-butyl]amino]hept-3-en-2-one CAS Name: (E)-4-[[(3R,4R)-3-(hydroxymethyl)heptan-4-yl]amino]-7-phenylmethoxy-3-hepten-2-one IUPAC Name: (E)-4-[[(3R,4R)-3-(hydroxymethyl)heptan-4-yl]amino]-7-phenylmethoxyhept-3-en-2-one Traditional Name: (E)-7-benzoxy-4-[[(1R,2R)-2-methylol-1-propyl-butyl]amino]hept-3-en-2-one Formula: C22H35NO3 MolecularWeight: 361.5182

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)CO)NC(=CC(=O)C)CCCOCC1=CC=CC=C1

Isomeric SMILES

CCC[C@H]([C@@H](CC)CO)N/C(=C/C(=O)C)/CCCOCC1=CC=CC=C1

InChI

InChI=1S/C22H35NO3/c1-4-10-22(20(5-2)16-24)23-21(15-18(3)25)13-9-14-26-17-19-11-7-6-8-12-19/h6-8,11-12,15,20,22-24H,4-5,9-10,13-14,16-17H2,1-3H3/b21-15+/t20-,22+/m0/s1