(E)-4-[[(3S)-1-bromanyl-12-phenyl-dodecan-3-yl]amino]pent-3-en-2-one

Systemtic Name: (E)-4-[[(3S)-1-bromanyl-12-phenyl-dodecan-3-yl]amino]pent-3-en-2-one Openeye Name: (E)-4-[[(1S)-1-(2-bromoethyl)-10-phenyl-decyl]amino]pent-3-en-2-one CAS Name: (E)-4-[[(3S)-1-bromo-12-phenyldodecan-3-yl]amino]-3-penten-2-one IUPAC Name: (E)-4-[[(3S)-1-bromo-12-phenyldodecan-3-yl]amino]pent-3-en-2-one Traditional Name: (E)-4-[[(1S)-1-(2-bromoethyl)-10-phenyl-decyl]amino]pent-3-en-2-one Formula: C23H36BrNO MolecularWeight: 422.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)NC(CCCCCCCCCC1=CC=CC=C1)CCBr

Isomeric SMILES

C/C(=C\C(=O)C)/N[C@@H](CCCCCCCCCC1=CC=CC=C1)CCBr

InChI

InChI=1S/C23H36BrNO/c1-20(19-21(2)26)25-23(17-18-24)16-12-7-5-3-4-6-9-13-22-14-10-8-11-15-22/h8,10-11,14-15,19,23,25H,3-7,9,12-13,16-18H2,1-2H3/b20-19+/t23-/m0/s1